1-(7-bromanyldibenzofuran-3-yl)oxy-2-ethyl-1-(phenylmethyl)pyrrolidin-1-ium bromide

Systemtic Name: 1-(7-bromanyldibenzofuran-3-yl)oxy-2-ethyl-1-(phenylmethyl)pyrrolidin-1-ium bromide Openeye Name: 1-benzyl-1-(7-bromodibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide CAS Name: 1-[(7-bromo-3-dibenzofuranyl)oxy]-2-ethyl-1-(phenylmethyl)pyrrolidin-1-ium bromide IUPAC Name: 1-benzyl-1-(7-bromodibenzofuran-3-yl)oxy-2-ethylpyrrolidin-1-ium bromide Traditional Name: 1-benzyl-1-(7-bromodibenzofuran-3-yl)oxy-2-ethyl-pyrrolidin-1-ium bromide Formula: C25H25Br2NO2 MolecularWeight: 531.2795

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[N+]1(CC2=CC=CC=C2)OC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Br.[Br-]

Isomeric SMILES

CCC1CCC[N+]1(CC2=CC=CC=C2)OC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Br.[Br-]

InChI

InChI=1S/C25H25BrNO2.BrH/c1-2-20-9-6-14-27(20,17-18-7-4-3-5-8-18)29-21-11-13-23-22-12-10-19(26)15-24(22)28-25(23)16-21;/h3-5,7-8,10-13,15-16,20H,2,6,9,14,17H2,1H3;1H/q+1;/p-1