1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-1-(phenylmethyl)piperidin-1-ium chloride

Systemtic Name: 1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-1-(phenylmethyl)piperidin-1-ium chloride Openeye Name: 1-benzyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium chloride CAS Name: 1-[(7-chloro-3-dibenzofuranyl)oxy]-2-ethyl-1-(phenylmethyl)piperidin-1-ium chloride IUPAC Name: 1-benzyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethylpiperidin-1-ium chloride Traditional Name: 1-benzyl-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium chloride Formula: C26H27Cl2NO2 MolecularWeight: 456.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[N+]1(CC2=CC=CC=C2)OC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Cl-]

Isomeric SMILES

CCC1CCCC[N+]1(CC2=CC=CC=C2)OC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Cl-]

InChI

InChI=1S/C26H27ClNO2.ClH/c1-2-21-10-6-7-15-28(21,18-19-8-4-3-5-9-19)30-22-12-14-24-23-13-11-20(27)16-25(23)29-26(24)17-22;/h3-5,8-9,11-14,16-17,21H,2,6-7,10,15,18H2,1H3;1H/q+1;/p-1