1-[6,8-bis(chloranyl)-7-methyl-dibenzofuran-3-yl]oxy-4-butyl-1-methyl-piperidin-1-ium bromide

Systemtic Name: 1-[6,8-bis(chloranyl)-7-methyl-dibenzofuran-3-yl]oxy-4-butyl-1-methyl-piperidin-1-ium bromide Openeye Name: 4-butyl-1-(6,8-dichloro-7-methyl-dibenzofuran-3-yl)oxy-1-methyl-piperidin-1-ium bromide CAS Name: 4-butyl-1-[(6,8-dichloro-7-methyl-3-dibenzofuranyl)oxy]-1-methylpiperidin-1-ium bromide IUPAC Name: 4-butyl-1-(6,8-dichloro-7-methyldibenzofuran-3-yl)oxy-1-methylpiperidin-1-ium bromide Traditional Name: 4-butyl-1-(6,8-dichloro-7-methyl-dibenzofuran-3-yl)oxy-1-methyl-piperidin-1-ium bromide Formula: C23H28BrCl2NO2 MolecularWeight: 501.28392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC[N+](CC1)(C)OC2=CC3=C(C=C2)C4=CC(=C(C(=C4O3)Cl)C)Cl.[Br-]

Isomeric SMILES

CCCCC1CC[N+](CC1)(C)OC2=CC3=C(C=C2)C4=CC(=C(C(=C4O3)Cl)C)Cl.[Br-]

InChI

InChI=1S/C23H28Cl2NO2.BrH/c1-4-5-6-16-9-11-26(3,12-10-16)28-17-7-8-18-19-14-20(24)15(2)22(25)23(19)27-21(18)13-17;/h7-8,13-14,16H,4-6,9-12H2,1-3H3;1H/q+1;/p-1