(5-methyl-2-propan-2-yl-cyclohexyl) 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C[N+](=CC=C2)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=C[N+](=CC=C2)C)C(C)C

InChI

InChI=1S/C17H26NO2/c1-12(2)15-8-7-13(3)10-16(15)20-17(19)14-6-5-9-18(4)11-14/h5-6,9,11-13,15-16H,7-8,10H2,1-4H3/q+1