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

Systemtic Name: ethyl 2-methylidene-5-oxidanylidene-4-pyridin-1-ium-3-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-7-4-8-14(21)17(13)16(15)12-6-5-9-19-10-12/h5-6,9-10,15-16,20H,2-4,7-8H2,1H3/p+1