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

Systemtic Name: ethyl (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26N5O2S+ MolecularWeight: 376.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC(C2)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C18H25N5O2S/c1-3-22-16(14-7-9-19-10-8-14)20-23(18(22)26)13-21-11-5-6-15(12-21)17(24)25-4-2/h7-10,15H,3-6,11-13H2,1-2H3/p+1/t15-/m1/s1