2-[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)C

InChI

InChI=1S/C25H32N4O2S/c1-19-8-9-21(17-20(19)2)32-24-22(7-6-10-26-24)25(31)29-15-13-27(14-16-29)18-23(30)28-11-4-3-5-12-28/h6-10,17H,3-5,11-16,18H2,1-2H3/p+1