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

Systemtic Name: 3-chloranyl-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide Openeye Name: 3-chloro-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide CAS Name: 3-chloro-6-(1-methyl-4-pyridin-1-iumyl)benzo[b][1,4]benzoxazepine iodide IUPAC Name: 3-chloro-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide Traditional Name: 3-chloro-6-(1-methylpyridin-1-ium-4-yl)benzo[b][1,4]benzoxazepine iodide Formula: C19H14ClIN2O MolecularWeight: 448.68473

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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=CC=CC=C42.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42.[I-]

InChI

InChI=1S/C19H14ClN2O.HI/c1-22-10-8-13(9-11-22)19-15-4-2-3-5-17(15)23-18-7-6-14(20)12-16(18)21-19;/h2-12H,1H3;1H/q+1;/p-1