2-methylpropyl 1-ethyl-7-methyl-4-oxidanylidene-3H-1,8-naphthyridin-1-ium-3-carboxylate

Systemtic Name: 2-methylpropyl 1-ethyl-7-methyl-4-oxidanylidene-3H-1,8-naphthyridin-1-ium-3-carboxylate Openeye Name: isobutyl 1-ethyl-7-methyl-4-oxo-3H-1,8-naphthyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-7-methyl-4-oxo-3H-1,8-naphthyridin-1-ium-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 1-ethyl-7-methyl-4-oxo-3H-1,8-naphthyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-keto-7-methyl-3H-1,8-naphthyridin-1-ium-3-carboxylic acid isobutyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(C)C

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(C)C

InChI

InChI=1S/C16H21N2O3/c1-5-18-8-13(16(20)21-9-10(2)3)14(19)12-7-6-11(4)17-15(12)18/h6-8,10,13H,5,9H2,1-4H3/q+1