3-ethanoyl-4-oxidanylidene-furan-2-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one

Systemtic Name: 3-ethanoyl-4-oxidanylidene-furan-2-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one Openeye Name: 3-acetyl-4-oxo-furan-2-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one CAS Name: 3-acetyl-4-oxo-2-furanolate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one IUPAC Name: 3-acetyl-4-oxofuran-2-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one Traditional Name: 3-acetyl-4-keto-furan-2-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2CCCCC2[NH2+]1.CC(=O)C1=C(OCC1=O)[O-]

Isomeric SMILES

CC1CC(=O)C2CCCCC2[NH2+]1.CC(=O)C1=C(OCC1=O)[O-]

InChI

InChI=1S/C10H17NO.C6H6O4/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;1-3(7)5-4(8)2-10-6(5)9/h7-9,11H,2-6H2,1H3;9H,2H2,1H3