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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-methylbenzimidazol-3-ium-1-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-methylbenzimidazol-3-ium-1-yl)acetate chloride CAS Name: 2-(3-methyl-1-benzimidazol-3-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-methylbenzimidazol-3-ium-1-yl)acetate chloride Traditional Name: 2-(3-methylbenzimidazol-3-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C20H29ClN2O2 MolecularWeight: 364.90946

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C20H29N2O2.ClH/c1-14(2)16-10-9-15(3)11-19(16)24-20(23)12-22-13-21(4)17-7-5-6-8-18(17)22;/h5-8,13-16,19H,9-12H2,1-4H3;1H/q+1;/p-1