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

Systemtic Name: 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Openeye Name: 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride CAS Name: 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride IUPAC Name: 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]-1-methylpiperidin-1-ium chloride Traditional Name: 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]-1-methyl-piperidin-1-ium chloride Formula: C22H30ClNO2 MolecularWeight: 375.9321

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)COC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C22H29NO2.ClH/c1-23-14-6-8-19(16-23)17-25-22-11-4-3-9-20(22)13-12-18-7-5-10-21(15-18)24-2;/h3-5,7,9-11,15,19H,6,8,12-14,16-17H2,1-2H3;1H