(4aS,8aS)-4-oxidanylidene-1-propan-2-yl-4a,8a-dihydro-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: (4aS,8aS)-4-oxidanylidene-1-propan-2-yl-4a,8a-dihydro-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: (4aS,8aS)-1-isopropyl-4-oxo-4a,8a-dihydro-3H-quinolin-1-ium-3-carboxylic acid CAS Name: (4aS,8aS)-4-oxo-1-propan-2-yl-4a,8a-dihydro-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: (4aS,8aS)-4-oxo-1-propan-2-yl-4a,8a-dihydro-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: (4aS,8aS)-1-isopropyl-4-keto-4a,8a-dihydro-3H-quinolin-1-ium-3-carboxylic acid Formula: C13H16NO3+ MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC(C(=O)C2C1C=CC=C2)C(=O)O

Isomeric SMILES

CC(C)[N+]1=CC(C(=O)[C@@H]2[C@@H]1C=CC=C2)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-8(2)14-7-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-11H,1-2H3/p+1/t9-,10?,11-/m0/s1