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

Systemtic Name: (3S)-1-[(4-cyclohexyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-cyclohexyl-5-thioxo-tetrazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-cyclohexyl-5-sulfanylidene-1-tetrazolyl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-cyclohexyl-5-sulfanylidenetetrazol-1-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4-cyclohexyl-5-thioxo-tetrazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C20H29N6OS+ MolecularWeight: 401.54886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=S)N(N=N2)C[NH+]3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=S)N(N=N2)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H28N6OS/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/h1,3-4,9-10,16,18H,2,5-8,11-15H2,(H,21,27)/p+1/t16-/m0/s1