methyl 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(4-pyridin-1-iumyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2,7,7-trimethyl-5-oxo-4-pyridin-1-ium-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-pyridin-1-ium-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=[NH+]C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=[NH+]C=C3)C(=O)OC

InChI

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