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

Systemtic Name: phenethyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=[NH+]C=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=[NH+]C=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3/c1-16-21(24(28)29-15-12-17-6-3-2-4-7-17)22(18-10-13-25-14-11-18)23-19(26-16)8-5-9-20(23)27/h2-4,6-8,10-11,13-14,22-23,26H,5,9,12,15H2,1H3/p+1