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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-methylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-methylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-methylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+]2=CC=CC(=C2)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C[N+]2=CC=CC(=C2)C)C(C)C.[Cl-]

InChI

InChI=1S/C18H28NO2.ClH/c1-13(2)16-8-7-14(3)10-17(16)21-18(20)12-19-9-5-6-15(4)11-19;/h5-6,9,11,13-14,16-17H,7-8,10,12H2,1-4H3;1H/q+1;/p-1