2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H24N5OS+ MolecularWeight: 346.47036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-3-8-21-13-18-22(17(21)24)14-19-9-11-20(12-10-19)15-4-6-16(23-2)7-5-15/h3-7,13H,1,8-12,14H2,2H3/p+1