N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-cyclopropylacetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C3CC3)C4=CCCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C3CC3)C4=CCCCC4)F

InChI

InChI=1S/C23H30FN3O2/c1-17(28)18-7-10-22(21(24)15-18)26-13-11-25(12-14-26)16-23(29)27(20-8-9-20)19-5-3-2-4-6-19/h5,7,10,15,20H,2-4,6,8-9,11-14,16H2,1H3/p+1