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

Systemtic Name: methyl 1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(4-methoxyphenyl)-5-thioxo-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(4-methoxyphenyl)-5-thioxo-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22N5O3S+ MolecularWeight: 364.44258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C16H21N5O3S/c1-23-14-5-3-13(4-6-14)21-16(25)20(17-18-21)11-19-9-7-12(8-10-19)15(22)24-2/h3-6,12H,7-11H2,1-2H3/p+1