4-fluoranyl-N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-oxobutan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-1-oxobutan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]benzamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O2/c1-12(2)15(17(23)21-10-8-20(3)9-11-21)19-16(22)13-4-6-14(18)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,19,22)/p+1/t15-/m0/s1