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CHEBI:41171 - (4-benzylpiperidin-1-yl)-(5-amidinomethyl-3aH-indol-2-yl)methanone

ChEBI IDCHEBI:41171
ChEBI Name(4-benzylpiperidin-1-yl)-(5-amidinomethyl-3aH-indol-2-yl)methanone
Stars
ASCII Name(4-benzylpiperidin-1-yl)-(5-amidinomethyl-3aH-indol-2-yl)methanone
Last Modified28 February 2008
DownloadsMolfile
FormulaC22H25N4O
Net Charge+1
Average Mass361.469
Monoisotopic Mass361.20229
SMILES[H]C1=C([H])C(C(N([H])[H])=[N+]([H])[H])=C([H])[C@@]2([H])C1=NC(C(=O)N1C([H])([H])C([H])([H])C([H])(C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])C([H])([H])C1([H])[H])=C2[H]
InChIInChI=1S/C22H24N4O/c23-21(24)17-6-7-19-18(13-17)14-20(25-19)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16,18H,8-12H2,(H3,23,24)/p+1/t18-/m1/s1
InChIKeyKVXKNKYHJPTYNK-GOSISDBHSA-O
ChEBI Ontology
Outgoing Relation(s)
(4-benzylpiperidin-1-yl)-(5-amidinomethyl-3aH-indol-2-yl)methanone (CHEBI:41171) is a N-acylpiperidine (CHEBI:48591)
(4-benzylpiperidin-1-yl)-(5-amidinomethyl-3aH-indol-2-yl)methanone (CHEBI:41171) is a carboxamidine (CHEBI:35359)
(4-benzylpiperidin-1-yl)-(5-amidinomethyl-3aH-indol-2-yl)methanone (CHEBI:41171) is a indolecarboxamide (CHEBI:46921)
Synonym  Source
(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINOMETHYL-3AH-INDOL-2-YL-METHANONEPDBeChem
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