propan-2-yl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isopropyl 2-methylene-5-oxo-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(3-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methylidene-5-oxo-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isopropyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=C[NH+]=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=C[NH+]=CC=C3

InChI

InChI=1S/C19H22N2O3/c1-11(2)24-19(23)16-12(3)21-14-7-4-8-15(22)18(14)17(16)13-6-5-9-20-10-13/h5-6,9-11,16-17,21H,3-4,7-8H2,1-2H3/p+1