[3-[[2-butyl-7-[2-(1-methoxy-2-oxidanylidene-ethyl)phenyl]carbonylimino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[[2-butyl-7-[2-(1-methoxy-2-oxidanylidene-ethyl)phenyl]carbonylimino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[[2-butyl-7-[2-(1-methoxy-2-oxo-ethyl)benzoyl]imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[[2-butyl-7-[[2-(1-methoxy-2-oxoethyl)phenyl]-oxomethyl]imino-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: [3-[[2-butyl-7-[2-(1-methoxy-2-oxoethyl)benzoyl]iminobenzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[[2-butyl-7-[2-(2-keto-1-methoxy-ethyl)benzoyl]imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C35H32N3O6+ MolecularWeight: 590.64508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=NC(=O)C3=CC=CC=C3C(C=O)OC)C2=[N+]1CC4=C(C(=CC=C4)OC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=CC=CC(=NC(=O)C3=CC=CC=C3C(C=O)OC)C2=[N+]1CC4=C(C(=CC=C4)OC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C35H31N3O6/c1-3-4-20-31-36-27-17-11-18-28(37-34(40)26-16-9-8-15-25(26)30(22-39)43-2)33(27)38(31)21-24-14-10-19-29(44-35(41)42)32(24)23-12-6-5-7-13-23/h5-19,22,30H,3-4,20-21H2,1-2H3/p+1