1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride

Systemtic Name: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride Openeye Name: 1-(4-isobutoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride CAS Name: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol chloride IUPAC Name: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride Traditional Name: 1-(4-isobutoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride Formula: C24H34ClNO2 MolecularWeight: 403.98526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C24H33NO2.ClH/c1-19(2)18-27-22-13-11-21(12-14-22)24(26)23(20-9-5-3-6-10-20)17-25-15-7-4-8-16-25;/h3,5-6,9-14,19,23-24,26H,4,7-8,15-18H2,1-2H3;1H