(8-oxidanylidene-1-propyl-2,3,4,5,6,7-hexahydroquinolin-1-ium-1-yl) benzoate

Systemtic Name: (8-oxidanylidene-1-propyl-2,3,4,5,6,7-hexahydroquinolin-1-ium-1-yl) benzoate Openeye Name: (8-oxo-1-propyl-2,3,4,5,6,7-hexahydroquinolin-1-ium-1-yl) benzoate CAS Name: benzoic acid (8-oxo-1-propyl-2,3,4,5,6,7-hexahydroquinolin-1-ium-1-yl) ester IUPAC Name: (8-oxo-1-propyl-2,3,4,5,6,7-hexahydroquinolin-1-ium-1-yl) benzoate Traditional Name: benzoic acid (8-keto-1-propyl-2,3,4,5,6,7-hexahydroquinolin-1-ium-1-yl) ester Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCC2=C1C(=O)CCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1(CCCC2=C1C(=O)CCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24NO3/c1-2-13-20(23-19(22)16-8-4-3-5-9-16)14-7-11-15-10-6-12-17(21)18(15)20/h3-5,8-9H,2,6-7,10-14H2,1H3/q+1