3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(methylamino)-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C16H24N5OS2+ MolecularWeight: 366.52466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)SC(=N3)NC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)SC(=N3)NC

InChI

InChI=1S/C16H23N5OS2/c1-3-22-14-7-5-4-6-13(14)20-10-8-19(9-11-20)12-21-16(23)24-15(17-2)18-21/h4-7H,3,8-12H2,1-2H3,(H,17,18)/p+1