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

Systemtic Name: 1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]-2-ethyl-1-(phenylmethyl)piperidin-1-ium Openeye Name: 1-benzyl-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-2-ethyl-piperidin-1-ium CAS Name: 1-[2-[(7-chloro-3-dibenzofuranyl)oxy]ethyl]-2-ethyl-1-(phenylmethyl)piperidin-1-ium IUPAC Name: 1-benzyl-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-2-ethylpiperidin-1-ium Traditional Name: 1-benzyl-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]-2-ethyl-piperidin-1-ium Formula: C28H31ClNO2+ MolecularWeight: 449.00424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[N+]1(CCOC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CCC1CCCC[N+]1(CCOC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H31ClNO2/c1-2-23-10-6-7-15-30(23,20-21-8-4-3-5-9-21)16-17-31-24-12-14-26-25-13-11-22(29)18-27(25)32-28(26)19-24/h3-5,8-9,11-14,18-19,23H,2,6-7,10,15-17,20H2,1H3/q+1