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

Systemtic Name: 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Openeye Name: 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide CAS Name: 3-[methyl-[3-(1-pyrrolidinyl)propyl]amino]-3-phenyl-4-benzimidazol-3-iumcarboxamide IUPAC Name: 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]-3-phenylbenzimidazol-3-ium-4-carboxamide Traditional Name: 3-[methyl(3-pyrrolidinopropyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCCC1)[N+]2(C=NC3=CC=CC(=C32)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN(CCCN1CCCC1)[N+]2(C=NC3=CC=CC(=C32)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-25(13-8-16-26-14-5-6-15-26)27(18-9-3-2-4-10-18)17-24-20-12-7-11-19(21(20)27)22(23)28/h2-4,7,9-12,17H,5-6,8,13-16H2,1H3,(H-,23,28)/p+1