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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(N=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=S)N(N=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N6OS/c27-19(21-17-9-3-1-4-10-17)16-8-7-13-24(14-16)15-25-20(28)26(23-22-25)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,27)/p+1/t16-/m0/s1