(2S)-2-(azepan-1-ium-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+]2CCCCCC2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCCCC2)F

InChI

InChI=1S/C16H23FN2O/c1-12-7-8-14(11-15(12)17)18-16(20)13(2)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1