2-[4-[[4-(cyclohexylcarbamoylamino)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride

Systemtic Name: 2-[4-[[4-(cyclohexylcarbamoylamino)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride Openeye Name: 2-[4-[[4-(cyclohexylcarbamoylamino)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride CAS Name: 2-[4-[[4-[[(cyclohexylamino)-oxomethyl]amino]-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride IUPAC Name: 2-[4-[[4-(cyclohexylcarbamoylamino)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride Traditional Name: 2-[4-[[4-(cyclohexylcarbamoylamino)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate chloride Formula: C31H34ClN4O3- MolecularWeight: 546.07966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[NH+]1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])NC(=O)NC5CCCCC5.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[NH+]1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])NC(=O)NC5CCCCC5.[Cl-]

InChI

InChI=1S/C31H34N4O3.ClH/c1-2-9-28-34-29-26(33-31(38)32-23-10-4-3-5-11-23)14-8-15-27(29)35(28)20-21-16-18-22(19-17-21)24-12-6-7-13-25(24)30(36)37;/h6-8,12-19,23H,2-5,9-11,20H2,1H3,(H,36,37)(H2,32,33,38);1H/p-1