ethyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-pyridin-1-iumyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=[NH+]C=C3)C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=[NH+]C=C3)C(=O)CCC2)C

InChI

InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-5-4-6-14(21)17(13)16(15)12-7-9-19-10-8-12/h7-10,16,20H,3-6H2,1-2H3/p+1