[1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-28-19-9-7-18(8-10-19)21-23-22(29)26(24-21)15-25-13-11-17(12-14-25)20(27)16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,23,24,29)/p+1