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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-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-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C26H34FN4O2+ MolecularWeight: 453.572163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4)F

InChI

InChI=1S/C26H33FN4O2/c1-20(32)21-6-11-25(24(27)18-21)31-16-14-29(15-17-31)19-26(33)28-22-7-9-23(10-8-22)30-12-4-2-3-5-13-30/h6-11,18H,2-5,12-17,19H2,1H3,(H,28,33)/p+1