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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

InChI

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