3-[[2-[5-(4-methoxyphenyl)pentyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride

Systemtic Name: 3-[[2-[5-(4-methoxyphenyl)pentyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Openeye Name: 3-[[2-[5-(4-methoxyphenyl)pentyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride CAS Name: 3-[[2-[5-(4-methoxyphenyl)pentyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride IUPAC Name: 3-[[2-[5-(4-methoxyphenyl)pentyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride Traditional Name: 3-[[2-[5-(4-methoxyphenyl)pentyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Formula: C25H36ClNO2 MolecularWeight: 418.01184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCCC3=CC=C(C=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCCC3=CC=C(C=C3)OC.[Cl-]

InChI

InChI=1S/C25H35NO2.ClH/c1-26-18-8-10-22(19-26)20-28-25-13-7-6-12-23(25)11-5-3-4-9-21-14-16-24(27-2)17-15-21;/h6-7,12-17,22H,3-5,8-11,18-20H2,1-2H3;1H