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

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C16H23FN3O2+ MolecularWeight: 308.371123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C)F

InChI

InChI=1S/C16H22FN3O2/c1-11-4-5-14(10-15(11)17)18-16(22)12(2)19-6-8-20(9-7-19)13(3)21/h4-5,10,12H,6-9H2,1-3H3,(H,18,22)/p+1/t12-/m0/s1