3-[[2-[6-(3-methoxyphenyl)hexyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride

Systemtic Name: 3-[[2-[6-(3-methoxyphenyl)hexyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Openeye Name: 3-[[2-[6-(3-methoxyphenyl)hexyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride CAS Name: 3-[[2-[6-(3-methoxyphenyl)hexyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride IUPAC Name: 3-[[2-[6-(3-methoxyphenyl)hexyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride Traditional Name: 3-[[2-[6-(3-methoxyphenyl)hexyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Formula: C26H38ClNO2 MolecularWeight: 432.03842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCCCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCCCC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C26H37NO2.ClH/c1-27-18-10-13-23(20-27)21-29-26-17-8-7-15-24(26)14-6-4-3-5-11-22-12-9-16-25(19-22)28-2;/h7-9,12,15-17,19,23H,3-6,10-11,13-14,18,20-21H2,1-2H3;1H