3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanidyl-1-oxidanyl-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ium-2-one

Systemtic Name: 3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanidyl-1-oxidanyl-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ium-2-one Openeye Name: 1-hydroxy-4-oxido-3-[2-oxo-2-(p-tolyl)ethyl]-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ium-2-one CAS Name: 1-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ium-2-one IUPAC Name: 1-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ium-2-one Traditional Name: 1-hydroxy-3-[2-keto-2-(p-tolyl)ethyl]-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-4-ium-2-one Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2=[N+](C3CCCCC3N(C2=O)O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC2=[N+](C3CCCCC3N(C2=O)O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-11-6-8-12(9-7-11)16(20)10-15-17(21)19(23)14-5-3-2-4-13(14)18(15)22/h6-9,13-14,23H,2-5,10H2,1H3