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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CCCCC2=CC=CC=C2OCC3CCC[NH2+]C3.[Cl-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CCCCC2=CC=CC=C2OCC3CCC[NH2+]C3.[Cl-]

InChI

InChI=1S/C25H35NO2.ClH/c1-20(2)28-24-14-7-10-21(17-24)9-3-4-12-23-13-5-6-15-25(23)27-19-22-11-8-16-26-18-22;/h5-7,10,13-15,17,20,22,26H,3-4,8-9,11-12,16,18-19H2,1-2H3;1H