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

Systemtic Name: 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methyl-piperidin-1-ium chloride Openeye Name: 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methyl-piperidin-1-ium chloride CAS Name: 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidin-1-ium chloride IUPAC Name: 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidin-1-ium chloride Traditional Name: 4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methyl-piperidin-1-ium chloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C21H27NO2.ClH/c1-22-14-12-19(13-15-22)24-21-9-4-3-7-18(21)11-10-17-6-5-8-20(16-17)23-2;/h3-9,16,19H,10-15H2,1-2H3;1H