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

Systemtic Name: 1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]-4-methyl-1-(phenylmethyl)piperidin-1-ium Openeye Name: 1-benzyl-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-4-methyl-piperidin-1-ium CAS Name: 1-[2-[(7-chloro-3-dibenzofuranyl)oxy]ethyl]-4-methyl-1-(phenylmethyl)piperidin-1-ium IUPAC Name: 1-benzyl-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-4-methylpiperidin-1-ium Traditional Name: 1-benzyl-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-4-methyl-piperidin-1-ium Formula: C27H29ClNO2+ MolecularWeight: 434.97766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1)(CCOC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1CC[N+](CC1)(CCOC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H29ClNO2/c1-20-11-13-29(14-12-20,19-21-5-3-2-4-6-21)15-16-30-23-8-10-25-24-9-7-22(28)17-26(24)31-27(25)18-23/h2-10,17-18,20H,11-16,19H2,1H3/q+1