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

Systemtic Name: [1-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H26N4O2S/c1-25-22(19-10-6-7-11-20(19)29-2)24-27(23(25)30)16-26-14-12-18(13-15-26)21(28)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3/p+1