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

Systemtic Name: methyl 1-[[4-(4-butylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(4-butylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(4-butylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H27N5O2S/c1-3-4-5-15-6-8-17(9-7-15)24-19(27)23(20-21-24)14-22-12-10-16(11-13-22)18(25)26-2/h6-9,16H,3-5,10-14H2,1-2H3/p+1