4-butyl-1-(7-chloranyldibenzofuran-3-yl)oxy-1-methyl-piperidin-1-ium bromide

Systemtic Name: 4-butyl-1-(7-chloranyldibenzofuran-3-yl)oxy-1-methyl-piperidin-1-ium bromide Openeye Name: 4-butyl-1-(7-chlorodibenzofuran-3-yl)oxy-1-methyl-piperidin-1-ium bromide CAS Name: 4-butyl-1-[(7-chloro-3-dibenzofuranyl)oxy]-1-methylpiperidin-1-ium bromide IUPAC Name: 4-butyl-1-(7-chlorodibenzofuran-3-yl)oxy-1-methylpiperidin-1-ium bromide Traditional Name: 4-butyl-1-(7-chlorodibenzofuran-3-yl)oxy-1-methyl-piperidin-1-ium bromide Formula: C22H27BrClNO2 MolecularWeight: 452.81228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC[N+](CC1)(C)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

Isomeric SMILES

CCCCC1CC[N+](CC1)(C)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H27ClNO2.BrH/c1-3-4-5-16-10-12-24(2,13-11-16)26-18-7-9-20-19-8-6-17(23)14-21(19)25-22(20)15-18;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/q+1;/p-1