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

Systemtic Name: 2-ethanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one Openeye Name: 2-acetyl-5,5-dimethyl-3-oxo-cyclohexen-1-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one CAS Name: 2-acetyl-5,5-dimethyl-3-oxo-1-cyclohexenolate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one IUPAC Name: 2-acetyl-5,5-dimethyl-3-oxocyclohexen-1-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one Traditional Name: 2-acetyl-3-keto-5,5-dimethyl-cyclohexen-1-olate; 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2CCCCC2[NH2+]1.CC(=O)C1=C(CC(CC1=O)(C)C)[O-]

Isomeric SMILES

CC1CC(=O)C2CCCCC2[NH2+]1.CC(=O)C1=C(CC(CC1=O)(C)C)[O-]

InChI

InChI=1S/C10H17NO.C10H14O3/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;1-6(11)9-7(12)4-10(2,3)5-8(9)13/h7-9,11H,2-6H2,1H3;12H,4-5H2,1-3H3