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

Systemtic Name: ethyl 4-(4-phenylcyclohexyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(4-phenylcyclohexyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(4-phenylcyclohexyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylcyclohexyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-phenylcyclohexyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2O2/c1-2-23-19(22)21-14-12-20(13-15-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3/p+1