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

Systemtic Name: N-(1-cyanocycloheptyl)-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-(1-cyanocycloheptyl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Formula: C22H30FN4O2+ MolecularWeight: 401.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCCCC3)C#N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCCCC3)C#N)F

InChI

InChI=1S/C22H29FN4O2/c1-17(28)18-6-7-20(19(23)14-18)27-12-10-26(11-13-27)15-21(29)25-22(16-24)8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,25,29)/p+1