4,6-dimethyl-2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C19H23N4OS2+ MolecularWeight: 387.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CC[NH+](CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CC[NH+](CC2)CC3=CC=CS3)C

InChI

InChI=1S/C19H22N4OS2/c1-14-10-15(2)21-19(17(14)11-20)26-13-18(24)23-7-5-22(6-8-23)12-16-4-3-9-25-16/h3-4,9-10H,5-8,12-13H2,1-2H3/p+1