2-[4-[[1-azanyl-2-butyl-5-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[1-azanyl-2-butyl-5-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[1-amino-2-butyl-5-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-amino-2-butyl-5-[(cyclohexylamino)-oxomethyl]-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-amino-2-butyl-5-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-amino-2-butyl-5-(cyclohexylcarbamoyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C([N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])N)C=CC(=C2)C(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C([N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])N)C=CC(=C2)C(=O)NC5CCCCC5

InChI

InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-20-24(31(37)34-25-9-5-4-6-10-25)18-19-29(28)36(30,33)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)32(38)39/h7-8,11-12,14-20,25H,2-6,9-10,13,21,33H2,1H3,(H-,34,37,38,39)