N-(4-fluorophenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-[(4-methyl-2-quinolyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H26FN4O2S+ MolecularWeight: 453.552243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O2S/c1-17-14-23(27-21-5-3-2-4-20(17)21)32-16-24(31)29-12-10-28(11-13-29)15-22(30)26-19-8-6-18(25)7-9-19/h2-9,14H,10-13,15-16H2,1H3,(H,26,30)/p+1