ethyl (3S)-1-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C20H27N3O4/c1-4-27-18(25)14-8-7-11-22(12-14)13-17(24)23-16-10-6-5-9-15(16)21-19(26)20(23,2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,21,26)/p+1/t14-/m0/s1