ethyl (3S)-1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H26N5O3S+ MolecularWeight: 356.46364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=S)N(C(=N2)CCC(=O)N)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=S)N(C(=N2)CCC(=O)N)C

InChI

InChI=1S/C15H25N5O3S/c1-3-23-14(22)11-5-4-8-19(9-11)10-20-15(24)18(2)13(17-20)7-6-12(16)21/h11H,3-10H2,1-2H3,(H2,16,21)/p+1/t11-/m0/s1