7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride

Systemtic Name: 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride Openeye Name: 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride CAS Name: 7-nitro-3-[2-(4-pyridin-1-iumyl)ethyl]-1,4-dihydro-2,3-benzoxazine chloride IUPAC Name: 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride Traditional Name: 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CON1CCC3=CC=[NH+]C=C3)C=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1C2=C(CON1CCC3=CC=[NH+]C=C3)C=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H15N3O3.ClH/c19-18(20)15-2-1-13-10-17(21-11-14(13)9-15)8-5-12-3-6-16-7-4-12;/h1-4,6-7,9H,5,8,10-11H2;1H