3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C17H24N5OS2+ MolecularWeight: 378.53536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)SC(=N3)NCC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)SC(=N3)NCC=C

InChI

InChI=1S/C17H23N5OS2/c1-3-8-18-16-19-22(17(24)25-16)13-20-9-11-21(12-10-20)14-4-6-15(23-2)7-5-14/h3-7H,1,8-13H2,2H3,(H,18,19)/p+1