3-chloranyl-8-methoxy-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide

Systemtic Name: 3-chloranyl-8-methoxy-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide Openeye Name: 3-chloro-8-methoxy-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide CAS Name: 3-chloro-8-methoxy-6-(1-methyl-4-pyridin-1-iumyl)benzo[b][1,4]benzoxazepine iodide IUPAC Name: 3-chloro-8-methoxy-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide Traditional Name: 3-chloro-8-methoxy-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide Formula: C20H16ClIN2O2 MolecularWeight: 478.71071

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)OC.[I-]

InChI

InChI=1S/C20H16ClN2O2.HI/c1-23-9-7-13(8-10-23)20-16-12-15(24-2)4-6-18(16)25-19-5-3-14(21)11-17(19)22-20;/h3-12H,1-2H3;1H/q+1;/p-1