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

Systemtic Name: oxolan-2-ylmethyl 2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 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 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 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 tetrahydrofurfuryl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=[NH+]C=C3)C(=O)OCC4CCCO4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=[NH+]C=C3)C(=O)OCC4CCCO4

InChI

InChI=1S/C21H24N2O4/c1-13-18(21(25)27-12-15-4-3-11-26-15)19(14-7-9-22-10-8-14)20-16(23-13)5-2-6-17(20)24/h5,7-10,15,19-20,23H,2-4,6,11-12H2,1H3/p+1