1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C20H24ClN4S+ MolecularWeight: 387.94936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=CC(=C(C3=S)C#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=CC(=C(C3=S)C#N)C)C

InChI

InChI=1S/C20H23ClN4S/c1-14-4-5-17(21)11-19(14)24-8-6-23(7-9-24)13-25-16(3)10-15(2)18(12-22)20(25)26/h4-5,10-11H,6-9,13H2,1-3H3/p+1