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

Systemtic Name: 1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-1-prop-2-enyl-pyrrolidin-1-ium bromide Openeye Name: 1-allyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide CAS Name: 1-[(7-chloro-3-dibenzofuranyl)oxy]-2-ethyl-1-prop-2-enylpyrrolidin-1-ium bromide IUPAC Name: 1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-1-prop-2-enylpyrrolidin-1-ium bromide Traditional Name: 1-allyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide Formula: C21H23BrClNO2 MolecularWeight: 436.76982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[N+]1(CC=C)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

Isomeric SMILES

CCC1CCC[N+]1(CC=C)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C21H23ClNO2.BrH/c1-3-11-23(12-5-6-16(23)4-2)25-17-8-10-19-18-9-7-15(22)13-20(18)24-21(19)14-17;/h3,7-10,13-14,16H,1,4-6,11-12H2,2H3;1H/q+1;/p-1