1-butyl-1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide

Systemtic Name: 1-butyl-1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide Openeye Name: 1-butyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide CAS Name: 1-butyl-1-[(7-chloro-3-dibenzofuranyl)oxy]-2-ethylpyrrolidin-1-ium bromide IUPAC Name: 1-butyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethylpyrrolidin-1-ium bromide Traditional Name: 1-butyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide Formula: C22H27BrClNO2 MolecularWeight: 452.81228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCC1CC)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

Isomeric SMILES

CCCC[N+]1(CCCC1CC)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H27ClNO2.BrH/c1-3-5-12-24(13-6-7-17(24)4-2)26-18-9-11-20-19-10-8-16(23)14-21(19)25-22(20)15-18;/h8-11,14-15,17H,3-7,12-13H2,1-2H3;1H/q+1;/p-1