methyl 2-[4-[[2-butyl-1-(4-methoxy-4-oxidanylidene-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[2-butyl-1-(4-methoxy-4-oxidanylidene-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-butyl-1-(4-methoxy-4-oxo-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-1-(4-methoxy-1,4-dioxobutyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-1-(4-methoxy-4-oxobutanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-1-(4-keto-4-methoxy-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C31H33N2O5+ MolecularWeight: 513.60412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C(=O)CCC(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C(=O)CCC(=O)OC

InChI

InChI=1S/C31H33N2O5/c1-4-5-14-28-32-26-12-8-9-13-27(26)33(28,29(34)19-20-30(35)37-2)21-22-15-17-23(18-16-22)24-10-6-7-11-25(24)31(36)38-3/h6-13,15-18H,4-5,14,19-21H2,1-3H3/q+1