2-[2-azanyl-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[2-amino-3-[2-(1-pyrrolidinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-pyrrolidinoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCC4)N)OC

InChI

InChI=1S/C23H28N4O3/c1-29-21-10-9-17(15-22(21)30-2)20(28)16-27-19-8-4-3-7-18(19)26(23(27)24)14-13-25-11-5-6-12-25/h3-4,7-10,15,24H,5-6,11-14,16H2,1-2H3/p+1