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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3CCC[NH2+]C3.[Cl-]

Isomeric SMILES

COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3CCC[NH2+]C3.[Cl-]

InChI

InChI=1S/C21H27NO2.ClH/c1-23-20-9-4-6-17(14-20)11-12-19-8-2-3-10-21(19)24-16-18-7-5-13-22-15-18;/h2-4,6,8-10,14,18,22H,5,7,11-13,15-16H2,1H3;1H