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

Systemtic Name: ethyl 1-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H24N5O3S+ MolecularWeight: 378.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-3-25-16(23)13-8-10-20(11-9-13)12-21-17(26)22(19-18-21)14-4-6-15(24-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3/p+1