(5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-methyl-2-(p-tolyl)benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[3-methyl-2-(4-methylphenyl)-1-benzimidazol-3-iumyl]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[3-methyl-2-(p-tolyl)benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C27H35ClN2O2 MolecularWeight: 455.032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)C)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)C)C)C(C)C.[Cl-]

InChI

InChI=1S/C27H35N2O2.ClH/c1-18(2)22-15-12-20(4)16-25(22)31-26(30)17-29-24-9-7-6-8-23(24)28(5)27(29)21-13-10-19(3)11-14-21;/h6-11,13-14,18,20,22,25H,12,15-17H2,1-5H3;1H/q+1;/p-1