3-[[2-[3-(3-methoxyphenyl)propyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride

Systemtic Name: 3-[[2-[3-(3-methoxyphenyl)propyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Openeye Name: 3-[[2-[3-(3-methoxyphenyl)propyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride CAS Name: 3-[[2-[3-(3-methoxyphenyl)propyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride IUPAC Name: 3-[[2-[3-(3-methoxyphenyl)propyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride Traditional Name: 3-[[2-[3-(3-methoxyphenyl)propyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Formula: C23H32ClNO2 MolecularWeight: 389.95868

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C23H31NO2.ClH/c1-24-15-7-10-20(17-24)18-26-23-14-4-3-11-21(23)12-5-8-19-9-6-13-22(16-19)25-2;/h3-4,6,9,11,13-14,16,20H,5,7-8,10,12,15,17-18H2,1-2H3;1H