2-[4-[[1-methyl-4-(4-oxidanylidenehexan-3-ylcarbamoyl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[1-methyl-4-(4-oxidanylidenehexan-3-ylcarbamoyl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-[(1-ethyl-2-oxo-butyl)carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-[oxo-(4-oxohexan-3-ylamino)methyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-methyl-4-(4-oxohexan-3-ylcarbamoyl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-[(1-ethyl-2-keto-butyl)carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C32H35N3O4 MolecularWeight: 525.638

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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)NC(CC)C(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C32H35N3O4/c1-5-11-29-34-30-25(31(37)33-26(6-2)28(36)7-3)14-10-15-27(30)35(29,4)20-21-16-18-22(19-17-21)23-12-8-9-13-24(23)32(38)39/h8-10,12-19,26H,5-7,11,20H2,1-4H3,(H-,33,37,38,39)