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

Systemtic Name: 1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-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=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

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