ethyl (2S)-1-(4-phenylcyclohexyl)piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-(4-phenylcyclohexyl)piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-(4-phenylcyclohexyl)piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-(4-phenylcyclohexyl)-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(4-phenylcyclohexyl)piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-phenylcyclohexyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H29NO2/c1-2-23-20(22)19-10-6-7-15-21(19)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3/p+1/t17?,18?,19-/m0/s1