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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC)C3=C[NH+]=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC)C3=C[NH+]=CC=C3)C(=O)C1)C

InChI

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