(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)acetate chloride CAS Name: 2-(2,3-dimethyl-1-benzimidazol-3-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)acetate chloride Traditional Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C(=[N+](C3=CC=CC=C32)C)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C(=[N+](C3=CC=CC=C32)C)C)C(C)C.[Cl-]

InChI

InChI=1S/C21H31N2O2.ClH/c1-14(2)17-11-10-15(3)12-20(17)25-21(24)13-23-16(4)22(5)18-8-6-7-9-19(18)23;/h6-9,14-15,17,20H,10-13H2,1-5H3;1H/q+1;/p-1