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

Systemtic Name: 1-[[3-(2-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2-methoxyphenyl)-4-phenethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(2-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-methoxyphenyl)-4-phenethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H29N5O2S/c1-31-21-10-6-5-9-20(21)23-26-29(17-27-14-12-19(13-15-27)22(25)30)24(32)28(23)16-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3,(H2,25,30)/p+1