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

Systemtic Name: methyl 2-[4-[[2-butyl-1-(4-methoxy-2-methyl-4-oxidanylidene-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-butyl-1-(4-methoxy-2-methyl-4-oxo-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-1-(4-methoxy-2-methyl-1,4-dioxobutyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-1-(4-methoxy-2-methyl-4-oxobutanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-1-(4-keto-4-methoxy-2-methyl-butanoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C32H35N2O5+ MolecularWeight: 527.6307

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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)C(C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C32H35N2O5/c1-5-6-15-29-33-27-13-9-10-14-28(27)34(29,31(36)22(2)20-30(35)38-3)21-23-16-18-24(19-17-23)25-11-7-8-12-26(25)32(37)39-4/h7-14,16-19,22H,5-6,15,20-21H2,1-4H3/q+1