ethyl 1-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-[(E)-styryl]-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-[(E)-styryl]-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N=C(N2)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-2-25-18(24)16-10-12-22(13-11-16)14-23-19(26)20-17(21-23)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,20,21,26)/p+1/b9-8+