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

Systemtic Name: methyl 1-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N4O2S/c1-13-18-20(17(24)21(13)15-6-4-3-5-7-15)12-19-10-8-14(9-11-19)16(22)23-2/h3-7,14H,8-12H2,1-2H3/p+1