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

Systemtic Name: methyl 1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C(=S)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C(=S)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N5O2S/c1-22-14(21)12-7-9-18(10-8-12)11-19-15(23)20(17-16-19)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/p+1