ethyl 1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C14H23N4O2S2+ MolecularWeight: 343.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NCC=C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NCC=C

InChI

InChI=1S/C14H22N4O2S2/c1-3-7-15-13-16-18(14(21)22-13)10-17-8-5-11(6-9-17)12(19)20-4-2/h3,11H,1,4-10H2,2H3,(H,15,16)/p+1