[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (2-oxo-2-tetralin-6-yl-ethyl) 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (2-keto-2-tetralin-6-yl-ethyl) ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H17NO4/c20-17(12-23-18(21)16-7-3-4-10-19(16)22)15-9-8-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2