ethyl (3S)-1-[(4-oxidanylidenecinnolin-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-oxidanylidenecinnolin-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-oxocinnolin-1-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-oxo-1-cinnolinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-oxocinnolin-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-ketocinnolin-1-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)13-6-5-9-19(11-13)12-20-15-8-4-3-7-14(15)16(21)10-18-20/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3/p+1/t13-/m0/s1