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

Systemtic Name: 1-[[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(4-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(4-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H25N5O2S/c1-29-19-9-7-17(8-10-19)21-24-26(15-25-13-11-16(12-14-25)20(23)28)22(30)27(21)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,23,28)/p+1