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

Systemtic Name: N-phenyl-1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenyl-1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C20H23N6OS+ MolecularWeight: 395.50122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=S)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=S)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6OS/c27-19(21-17-7-3-1-4-8-17)16-11-13-24(14-12-16)15-25-20(28)26(23-22-25)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,21,27)/p+1