1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-2-thioxo-nicotinonitrile Formula: C21H26N4O2S+2 MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C#N)C

InChI

InChI=1S/C21H24N4O2S/c1-15-9-16(2)25(21(28)18(15)11-22)13-24-7-5-23(6-8-24)12-17-3-4-19-20(10-17)27-14-26-19/h3-4,9-10H,5-8,12-14H2,1-2H3/p+2