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

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-2-thioxo-nicotinonitrile Formula: C22H28N4O2S+2 MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26N4O2S/c1-15-16(2)19(11-23)22(29)26(17(15)3)13-25-8-6-24(7-9-25)12-18-4-5-20-21(10-18)28-14-27-20/h4-5,10H,6-9,12-14H2,1-3H3/p+2