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

Systemtic Name: 1-ethyl-3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride Openeye Name: 1-ethyl-3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride CAS Name: 1-ethyl-3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride IUPAC Name: 1-ethyl-3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride Traditional Name: 1-ethyl-3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidin-1-ium chloride Formula: C25H36ClNO2 MolecularWeight: 418.01184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

CC[NH+]1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C25H35NO2.ClH/c1-3-26-17-9-12-22(19-26)20-28-25-16-7-6-14-23(25)13-5-4-10-21-11-8-15-24(18-21)27-2;/h6-8,11,14-16,18,22H,3-5,9-10,12-13,17,19-20H2,1-2H3;1H