(1S,6R)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[4-(4-chlorobenzyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C19H22ClN2O3- MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H23ClN2O3/c20-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)19(24)25/h1-2,5-8,16-17H,3-4,9-13H2,(H,24,25)/p-1/t16-,17+/m1/s1