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

Systemtic Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-2-thioxo-nicotinamide Formula: C21H30N4OS+2 MolecularWeight: 386.5541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-15-6-4-5-7-18(15)13-23-8-10-24(11-9-23)14-25-17(3)12-16(2)19(20(22)26)21(25)27/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,26)/p+2