3-chloranyl-5-methyl-6-(1-methylpyridin-1-ium-4-yl)-6H-benzo[b][1,4]benzoxazepine iodide

Systemtic Name: 3-chloranyl-5-methyl-6-(1-methylpyridin-1-ium-4-yl)-6H-benzo[b][1,4]benzoxazepine iodide Openeye Name: 3-chloro-5-methyl-6-(1-methylpyridin-1-ium-4-yl)-6H-benzo[b][1,4]benzoxazepine iodide CAS Name: 3-chloro-5-methyl-6-(1-methyl-4-pyridin-1-iumyl)-6H-benzo[b][1,4]benzoxazepine iodide IUPAC Name: 3-chloro-5-methyl-6-(1-methylpyridin-1-ium-4-yl)-6H-benzo[b][1,4]benzoxazepine iodide Traditional Name: 3-chloro-5-methyl-6-(1-methylpyridin-1-ium-4-yl)-6H-benzo[b][1,4]benzoxazepine iodide Formula: C20H18ClIN2O MolecularWeight: 464.72719

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=CC=CC=C2OC3=C1C=C(C=C3)Cl)C4=CC=[N+](C=C4)C.[I-]

Isomeric SMILES

CN1C(C2=CC=CC=C2OC3=C1C=C(C=C3)Cl)C4=CC=[N+](C=C4)C.[I-]

InChI

InChI=1S/C20H18ClN2O.HI/c1-22-11-9-14(10-12-22)20-16-5-3-4-6-18(16)24-19-8-7-15(21)13-17(19)23(20)2;/h3-13,20H,1-2H3;1H/q+1;/p-1