1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-1-prop-2-enyl-piperidin-1-ium bromide

Systemtic Name: 1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-1-prop-2-enyl-piperidin-1-ium bromide Openeye Name: 1-allyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium bromide CAS Name: 1-[(7-chloro-3-dibenzofuranyl)oxy]-2-ethyl-1-prop-2-enylpiperidin-1-ium bromide IUPAC Name: 1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-1-prop-2-enylpiperidin-1-ium bromide Traditional Name: 1-allyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium bromide Formula: C22H25BrClNO2 MolecularWeight: 450.7964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[N+]1(CC=C)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

Isomeric SMILES

CCC1CCCC[N+]1(CC=C)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H25ClNO2.BrH/c1-3-12-24(13-6-5-7-17(24)4-2)26-18-9-11-20-19-10-8-16(23)14-21(19)25-22(20)15-18;/h3,8-11,14-15,17H,1,4-7,12-13H2,2H3;1H/q+1;/p-1