2-(4-fluorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C18H22FN4OS+ MolecularWeight: 361.456883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4OS/c1-22-8-10-23(11-9-22)17-7-4-15(12-20-17)21-18(24)13-25-16-5-2-14(19)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/p+1