methyl 2-[2-[2-azanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanoyl]benzoate

Systemtic Name: methyl 2-[2-[2-azanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanoyl]benzoate Openeye Name: methyl 2-[2-[2-amino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetyl]benzoate CAS Name: 2-[2-[2-amino-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-amino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetyl]benzoate Traditional Name: 2-[2-[2-amino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetyl]benzoic acid methyl ester Formula: C23H28N4O3+2 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCC4)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCC4)N

InChI

InChI=1S/C23H26N4O3/c1-30-22(29)18-9-3-2-8-17(18)21(28)16-27-20-11-5-4-10-19(20)26(23(27)24)15-14-25-12-6-7-13-25/h2-5,8-11,24H,6-7,12-16H2,1H3/p+2