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CHEBI:43785 - 2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium

ChEBI IDCHEBI:43785
ChEBI Name2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium
Stars
ASCII Name2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium
Last Modified16 May 2008
DownloadsMolfile
FormulaC19H21N6O2
Net Charge+1
Average Mass365.417
Monoisotopic Mass365.17205
SMILES[H]c1c([H])c([H])c(C([H])([H])[n+]2c3c(n([H])c2N2C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C2([H])[H])C(=O)N(C([H])([H])[H])C3=O)c(C#N)c1[H]
InChIInChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/p+1/t14-/m0/s1
InChIKeyWVRGIUWTFUXDGX-AWEZNQCLSA-O
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium (CHEBI:43785) is a aminopiperidine (CHEBI:48588)
2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium (CHEBI:43785) is a benzamides (CHEBI:22702)
2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium (CHEBI:43785) is a pyrroloimidazole (CHEBI:48655)
Synonyms  Source
2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUMPDBeChem
2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-iumPDBeChem
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