2-[4-[[1-methyl-4-[methyl-(2-methyl-4-oxidanylidene-pentan-3-yl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[1-methyl-4-[methyl-(2-methyl-4-oxidanylidene-pentan-3-yl)carbamoyl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[4-[(1-acetyl-2-methyl-propyl)-methyl-carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-[[methyl-(2-methyl-4-oxopentan-3-yl)amino]-oxomethyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-methyl-4-[methyl-(2-methyl-4-oxopentan-3-yl)carbamoyl]-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-[(1-acetyl-2-methyl-propyl)-methyl-carbamoyl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C33H37N3O4 MolecularWeight: 539.66458

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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)C)C(=O)C

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)C)C(=O)C

InChI

InChI=1S/C33H37N3O4/c1-7-11-29-34-30-27(32(38)35(5)31(21(2)3)22(4)37)14-10-15-28(30)36(29,6)20-23-16-18-24(19-17-23)25-12-8-9-13-26(25)33(39)40/h8-10,12-19,21,31H,7,11,20H2,1-6H3