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

Systemtic Name: methyl 1-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O4/c1-24-17(23)12-6-8-19(9-7-12)11-16(22)20-10-15(21)18-13-4-2-3-5-14(13)20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1