3-[[2-[4-(4-methoxyphenyl)butyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride

Systemtic Name: 3-[[2-[4-(4-methoxyphenyl)butyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Openeye Name: 3-[[2-[4-(4-methoxyphenyl)butyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride CAS Name: 3-[[2-[4-(4-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride IUPAC Name: 3-[[2-[4-(4-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride Traditional Name: 3-[[2-[4-(4-methoxyphenyl)butyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Formula: C24H34ClNO2 MolecularWeight: 403.98526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC=C(C=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC=C(C=C3)OC.[Cl-]

InChI

InChI=1S/C24H33NO2.ClH/c1-25-17-7-9-21(18-25)19-27-24-12-6-5-11-22(24)10-4-3-8-20-13-15-23(26-2)16-14-20;/h5-6,11-16,21H,3-4,7-10,17-19H2,1-2H3;1H