1-(7-chloranyldibenzofuran-3-yl)oxy-1-(phenylmethyl)-3-propyl-piperidin-1-ium bromide

Systemtic Name: 1-(7-chloranyldibenzofuran-3-yl)oxy-1-(phenylmethyl)-3-propyl-piperidin-1-ium bromide Openeye Name: 1-benzyl-1-(7-chlorodibenzofuran-3-yl)oxy-3-propyl-piperidin-1-ium bromide CAS Name: 1-[(7-chloro-3-dibenzofuranyl)oxy]-1-(phenylmethyl)-3-propylpiperidin-1-ium bromide IUPAC Name: 1-benzyl-1-(7-chlorodibenzofuran-3-yl)oxy-3-propylpiperidin-1-ium bromide Traditional Name: 1-benzyl-1-(7-chlorodibenzofuran-3-yl)oxy-3-propyl-piperidin-1-ium bromide Formula: C27H29BrClNO2 MolecularWeight: 514.88166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC[N+](C1)(CC2=CC=CC=C2)OC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Br-]

Isomeric SMILES

CCCC1CCC[N+](C1)(CC2=CC=CC=C2)OC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Br-]

InChI

InChI=1S/C27H29ClNO2.BrH/c1-2-7-20-10-6-15-29(18-20,19-21-8-4-3-5-9-21)31-23-12-14-25-24-13-11-22(28)16-26(24)30-27(25)17-23;/h3-5,8-9,11-14,16-17,20H,2,6-7,10,15,18-19H2,1H3;1H/q+1;/p-1