1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-2-thioxo-nicotinonitrile Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=C(C(=C(C3=S)C#N)C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=C(C(=C(C3=S)C#N)C)C)C

InChI

InChI=1S/C22H28N4OS/c1-5-27-21-9-7-6-8-20(21)25-12-10-24(11-13-25)15-26-18(4)16(2)17(3)19(14-23)22(26)28/h6-9H,5,10-13,15H2,1-4H3/p+1