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

Systemtic Name: 1-(4-pentoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol chloride Openeye Name: 1-(4-pentoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol chloride CAS Name: 1-(4-pentoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol chloride IUPAC Name: 1-(4-pentoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol chloride Traditional Name: 1-(4-amoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol chloride Formula: C24H34ClNO2 MolecularWeight: 403.98526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C24H33NO2.ClH/c1-2-3-9-18-27-22-14-12-21(13-15-22)24(26)23(19-25-16-7-8-17-25)20-10-5-4-6-11-20;/h4-6,10-15,23-24,26H,2-3,7-9,16-19H2,1H3;1H