2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C16H23FN3O2+ MolecularWeight: 308.371123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)C(=O)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)C(=O)C)F

InChI

InChI=1S/C16H22FN3O2/c1-12-4-5-15(14(17)10-12)18-16(22)11-19-6-3-7-20(9-8-19)13(2)21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,22)/p+1