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

Systemtic Name: [3-[methyl(3-pyrrolidin-1-ylpropyl)amino]-3-phenyl-benzimidazol-3-ium-4-yl] carbamate Openeye Name: [3-[methyl(3-pyrrolidin-1-ylpropyl)amino]-3-phenyl-benzimidazol-3-ium-4-yl] carbamate CAS Name: carbamic acid [3-[methyl-[3-(1-pyrrolidinyl)propyl]amino]-3-phenyl-4-benzimidazol-3-iumyl] ester IUPAC Name: [3-[methyl(3-pyrrolidin-1-ylpropyl)amino]-3-phenylbenzimidazol-3-ium-4-yl] carbamate Traditional Name: carbamic acid [3-[methyl(3-pyrrolidinopropyl)amino]-3-phenyl-benzimidazol-3-ium-4-yl] ester Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCCC1)[N+]2(C=NC3=C2C(=CC=C3)OC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN(CCCN1CCCC1)[N+]2(C=NC3=C2C(=CC=C3)OC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-25(13-8-16-26-14-5-6-15-26)27(18-9-3-2-4-10-18)17-24-19-11-7-12-20(21(19)27)29-22(23)28/h2-4,7,9-12,17H,5-6,8,13-16H2,1H3,(H-,23,28)/p+1