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

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CSC=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CSC=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2S/c1-15(2)19(23-20(26)17-3-5-18(22)6-4-17)21(27)25-10-8-24(9-11-25)13-16-7-12-28-14-16/h3-7,12,14-15,19H,8-11,13H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1