(2R)-4-pyridin-1-ium-4-yl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2R)-4-pyridin-1-ium-4-yl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2R)-4-pyridin-1-ium-4-yl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-(4-pyridin-1-iumyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2R)-4-pyridin-1-ium-4-yl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-pyridin-1-ium-4-yl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C3=CC=[NH+]C=C3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2N1C3=CC=[NH+]C=C3)C(=O)[O-]

InChI

InChI=1S/C14H12N2O3/c17-14(18)13-9-16(10-5-7-15-8-6-10)11-3-1-2-4-12(11)19-13/h1-8,13H,9H2,(H,17,18)/t13-/m1/s1