N,N-dimethyl-2-[4-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[2-(p-tolylsulfanyl)pyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[[2-[(4-methylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[2-(4-methylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[2-(p-tolylthio)nicotinoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)N(C)C

InChI

InChI=1S/C21H26N4O2S/c1-16-6-8-17(9-7-16)28-20-18(5-4-10-22-20)21(27)25-13-11-24(12-14-25)15-19(26)23(2)3/h4-10H,11-15H2,1-3H3/p+1