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

Systemtic Name: (1R,6S)-6-[4-(4-fluorophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C18H20FN2O3- MolecularWeight: 331.361403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C18H21FN2O3/c19-13-5-7-14(8-6-13)20-9-11-21(12-10-20)17(22)15-3-1-2-4-16(15)18(23)24/h1-2,5-8,15-16H,3-4,9-12H2,(H,23,24)/p-1/t15-,16+/m0/s1