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

Systemtic Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride Openeye Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride CAS Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride IUPAC Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride Traditional Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride Formula: C23H32ClNO2 MolecularWeight: 389.95868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCCC2=CC=CC=C2OCC3CCC[NH2+]C3.[Cl-]

Isomeric SMILES

COC1=CC=CC(=C1)CCCCC2=CC=CC=C2OCC3CCC[NH2+]C3.[Cl-]

InChI

InChI=1S/C23H31NO2.ClH/c1-25-22-13-6-9-19(16-22)8-2-3-11-21-12-4-5-14-23(21)26-18-20-10-7-15-24-17-20;/h4-6,9,12-14,16,20,24H,2-3,7-8,10-11,15,17-18H2,1H3;1H