1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-2-thioxo-nicotinamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-4-27-18-8-6-5-7-17(18)24-11-9-23(10-12-24)14-25-16(3)13-15(2)19(20(22)26)21(25)28/h5-8,13H,4,9-12,14H2,1-3H3,(H2,22,26)/p+1