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

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

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c23-21(28)17-11-13-25(14-12-17)16-26-22(30)27(18-7-3-1-4-8-18)20(24-26)15-29-19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H2,23,28)/p+1