1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride

Systemtic Name: 1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride Openeye Name: 1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride CAS Name: 1-(4-pentoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol chloride IUPAC Name: 1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride Traditional Name: 1-(4-amoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride Formula: C25H36ClNO2 MolecularWeight: 418.01184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C25H35NO2.ClH/c1-2-3-10-19-28-23-15-13-22(14-16-23)25(27)24(21-11-6-4-7-12-21)20-26-17-8-5-9-18-26;/h4,6-7,11-16,24-25,27H,2-3,5,8-10,17-20H2,1H3;1H