1-[[4-(2,6-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-(2,6-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-(2,6-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(2,6-dimethylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-(2,6-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H27N6OS+ MolecularWeight: 423.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N6OS/c1-16-7-6-8-17(2)20(16)28-22(30)27(24-25-28)15-26-13-11-18(12-14-26)21(29)23-19-9-4-3-5-10-19/h3-10,18H,11-15H2,1-2H3,(H,23,29)/p+1