methyl 2-[2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoyl]benzoate

Systemtic Name: methyl 2-[2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoyl]benzoate Openeye Name: methyl 2-[2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate CAS Name: 2-[2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate Traditional Name: 2-[2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]benzoic acid methyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O3/c1-31-23(30)19-10-4-3-9-18(19)22(29)17-28-21-12-6-5-11-20(21)27(24(28)25)16-15-26-13-7-2-8-14-26/h3-6,9-12,25H,2,7-8,13-17H2,1H3/p+1