N-[2-(4-fluorophenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]ethanamide Openeye Name: N-[2-(4-fluorophenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide CAS Name: N-[2-[(4-fluorophenyl)thio]-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]acetamide IUPAC Name: N-[2-(4-fluorophenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide Traditional Name: N-[2-[(4-fluorophenyl)thio]-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)C)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)C)SC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O2S/c1-14(25)22-18-13-15(20(26)24-11-9-23(2)10-12-24)3-8-19(18)27-17-6-4-16(21)5-7-17/h3-8,13H,9-12H2,1-2H3,(H,22,25)/p+1