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

Systemtic Name: ethyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-methyl-5-oxo-4-pyridin-1-ium-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(2-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-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-pyridin-1-ium-2-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=CC=[NH+]3)C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=[NH+]3)C(=O)CCC2)C

InChI

InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-8-6-9-14(21)16(13)17(15)12-7-4-5-10-19-12/h4-5,7,10,17,20H,3,6,8-9H2,1-2H3/p+1