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

Systemtic Name: 4,6-dimethyl-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4OS/c1-11-8-12(2)17-15(13(11)9-16)21-10-14(20)19-6-4-18(3)5-7-19/h8H,4-7,10H2,1-3H3/p+1