6-chloranyl-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride

Systemtic Name: 6-chloranyl-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride Openeye Name: 6-chloro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride CAS Name: 6-chloro-3-[2-(4-pyridin-1-iumyl)ethyl]-1,4-dihydro-2,3-benzoxazine chloride IUPAC Name: 6-chloro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride Traditional Name: 6-chloro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride Formula: C15H16Cl2N2O MolecularWeight: 311.20634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O.ClH/c16-15-2-1-13-11-19-18(10-14(13)9-15)8-5-12-3-6-17-7-4-12;/h1-4,6-7,9H,5,8,10-11H2;1H