2-[4-[[1-methyl-4-[methyl-(1-oxidanylidene-1-phenyl-propan-2-yl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[1-methyl-4-[methyl-(1-oxidanylidene-1-phenyl-propan-2-yl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[1-methyl-4-[methyl-(1-methyl-2-oxo-2-phenyl-ethyl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-[[methyl-(1-oxo-1-phenylpropan-2-yl)amino]-oxomethyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-methyl-4-[methyl-(1-oxo-1-phenylpropan-2-yl)carbamoyl]-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-[(2-keto-1-methyl-2-phenyl-ethyl)-methyl-carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C36H35N3O4 MolecularWeight: 573.6808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C(=O)N(C)C(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C(=O)N(C)C(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H35N3O4/c1-5-12-32-37-33-30(35(41)38(3)24(2)34(40)27-13-7-6-8-14-27)17-11-18-31(33)39(32,4)23-25-19-21-26(22-20-25)28-15-9-10-16-29(28)36(42)43/h6-11,13-22,24H,5,12,23H2,1-4H3