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

Systemtic Name: 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methyl-piperidin-1-ium chloride Openeye Name: 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methyl-piperidin-1-ium chloride CAS Name: 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidin-1-ium chloride IUPAC Name: 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidin-1-ium chloride Traditional Name: 3-[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+]1CCCC(C1)OC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

InChI

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