3-[3-azanylpropyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide

Systemtic Name: 3-[3-azanylpropyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Openeye Name: 3-[3-aminopropyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide CAS Name: 3-[3-aminopropyl(methyl)amino]-3-phenyl-4-benzimidazol-3-iumcarboxamide IUPAC Name: 3-[3-aminopropyl(methyl)amino]-3-phenylbenzimidazol-3-ium-4-carboxamide Traditional Name: 3-[3-aminopropyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN)[N+]1(C=NC2=CC=CC(=C21)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CN(CCCN)[N+]1(C=NC2=CC=CC(=C21)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O/c1-22(12-6-11-19)23(14-7-3-2-4-8-14)13-21-16-10-5-9-15(17(16)23)18(20)24/h2-5,7-10,13H,6,11-12,19H2,1H3,(H-,20,24)/p+1