tert-butyl 1-oxidanidyl-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-carboxylate

Systemtic Name: tert-butyl 1-oxidanidyl-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-carboxylate Openeye Name: tert-butyl 1-oxido-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-carboxylate CAS Name: 1-oxido-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-oxido-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-carboxylate Traditional Name: 1-oxido-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-carboxylic acid tert-butyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=[N+]2[O-]

InChI

InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)14-8-6-11-10(9-14)5-4-7-15(11)17/h4-5,7H,6,8-9H2,1-3H3