1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]-1-[(4-methylphenyl)methyl]piperidin-1-ium bromide

Systemtic Name: 1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]-1-[(4-methylphenyl)methyl]piperidin-1-ium bromide Openeye Name: 1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-1-(p-tolylmethyl)piperidin-1-ium bromide CAS Name: 1-[2-[(7-chloro-3-dibenzofuranyl)oxy]ethyl]-1-[(4-methylphenyl)methyl]piperidin-1-ium bromide IUPAC Name: 1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-1-[(4-methylphenyl)methyl]piperidin-1-ium bromide Traditional Name: 1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-1-(4-methylbenzyl)piperidin-1-ium bromide Formula: C27H29BrClNO2 MolecularWeight: 514.88166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCCCC2)CCOC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCCCC2)CCOC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Br-]

InChI

InChI=1S/C27H29ClNO2.BrH/c1-20-5-7-21(8-6-20)19-29(13-3-2-4-14-29)15-16-30-23-10-12-25-24-11-9-22(28)17-26(24)31-27(25)18-23;/h5-12,17-18H,2-4,13-16,19H2,1H3;1H/q+1;/p-1