4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-1-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-1-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-2-thioxo-nicotinonitrile Formula: C21H28N4S+2 MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=CC(=C(C3=S)C#N)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=CC(=C(C3=S)C#N)C)C

InChI

InChI=1S/C21H26N4S/c1-16-6-4-5-7-19(16)14-23-8-10-24(11-9-23)15-25-18(3)12-17(2)20(13-22)21(25)26/h4-7,12H,8-11,14-15H2,1-3H3/p+2