1-oxidanylidene-6-(phenylmethyl)-5,7,8,8a-tetrahydro-1,6-naphthyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-6-(phenylmethyl)-5,7,8,8a-tetrahydro-1,6-naphthyridin-1-ium-3-carboxylic acid Openeye Name: 6-benzyl-1-oxo-5,7,8,8a-tetrahydro-1,6-naphthyridin-1-ium-3-carboxylic acid CAS Name: 1-oxo-6-(phenylmethyl)-5,7,8,8a-tetrahydro-1,6-naphthyridin-1-ium-3-carboxylic acid IUPAC Name: 6-benzyl-1-oxo-5,7,8,8a-tetrahydro-1,6-naphthyridin-1-ium-3-carboxylic acid Traditional Name: 6-benzyl-1-keto-5,7,8,8a-tetrahydro-1,6-naphthyridin-1-ium-3-carboxylic acid Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C[N+](=O)C21)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC(=C[N+](=O)C21)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O3/c19-16(20)14-8-13-10-17(7-6-15(13)18(21)11-14)9-12-4-2-1-3-5-12/h1-5,8,11,15H,6-7,9-10H2/p+1