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

Systemtic Name: 1-[[4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-(3,5-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(3,5-dimethylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-(3,5-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-(3,5-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=CC(=CC(=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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