ethyl (3S)-1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H20N4O3/c1-2-23-16(22)12-6-5-9-19(10-12)11-20-15(21)13-7-3-4-8-14(13)17-18-20/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m0/s1