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

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(4-methoxyphenyl)thio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-22-9-11-23(12-10-22)18-8-3-15(13-20-18)21-19(24)14-26-17-6-4-16(25-2)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)/p+1