3-[methyl(3-piperidin-1-ylpropyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide

Systemtic Name: 3-[methyl(3-piperidin-1-ylpropyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Openeye Name: 3-[methyl-[3-(1-piperidyl)propyl]amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide CAS Name: 3-[methyl-[3-(1-piperidinyl)propyl]amino]-3-phenyl-4-benzimidazol-3-iumcarboxamide IUPAC Name: 3-[methyl(3-piperidin-1-ylpropyl)amino]-3-phenylbenzimidazol-3-ium-4-carboxamide Traditional Name: 3-[methyl(3-piperidinopropyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCCCC1)[N+]2(C=NC3=CC=CC(=C32)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN(CCCN1CCCCC1)[N+]2(C=NC3=CC=CC(=C32)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-26(14-9-17-27-15-6-3-7-16-27)28(19-10-4-2-5-11-19)18-25-21-13-8-12-20(22(21)28)23(24)29/h2,4-5,8,10-13,18H,3,6-7,9,14-17H2,1H3,(H-,24,29)/p+1