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CHEBI:40295 - 3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium
| Formula | C27H31N6O |
| Net Charge | +1 |
| Average Mass | 455.586 |
| Monoisotopic Mass | 455.25539 |
| SMILES | [H]/N=C(/c1c([H])c([H])c2c([H])c([H])c(C([H])([H])[n+]3c(C([H])([H])[H])n([H])c4c([H])c([H])c(OC5([H])C([H])([H])C([H])([H])N(/C(=N\[H])C([H])([H])[H])C([H])([H])C5([H])[H])c([H])c43)c([H])c2c1[H])N([H])[H] |
| InChI | InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1/b28-17- |
| InChIKey | JABMRQOJSAZJAD-QRQIAZFYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium (CHEBI:40295) is a benzimidazoles (CHEBI:22715) |
| 3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium (CHEBI:40295) is a carboxamidine (CHEBI:35359) |
| 3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium (CHEBI:40295) is a naphthalenes (CHEBI:25477) |
| 3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium (CHEBI:40295) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID | PDBeChem |
| 3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 711 | PDBeChem |