(5-methyl-2-propan-2-yl-cyclohexyl) 1-methyl-1-phenyl-aziridin-1-ium-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 1-methyl-1-phenyl-aziridin-1-ium-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 1-methyl-1-phenyl-aziridin-1-ium-2-carboxylate CAS Name: 1-methyl-1-phenyl-2-aziridin-1-iumcarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 1-methyl-1-phenylaziridin-1-ium-2-carboxylate Traditional Name: 1-methyl-1-phenyl-ethylenimin-1-ium-2-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C[N+]2(C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2C[N+]2(C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H30NO2/c1-14(2)17-11-10-15(3)12-19(17)23-20(22)18-13-21(18,4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3/q+1