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

Systemtic Name: 1-(4-butoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol chloride Openeye Name: 1-(4-butoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol chloride CAS Name: 1-(4-butoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol chloride IUPAC Name: 1-(4-butoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol chloride Traditional Name: 1-(4-butoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol chloride Formula: C23H32ClNO2 MolecularWeight: 389.95868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H31NO2.ClH/c1-2-3-17-26-21-13-11-20(12-14-21)23(25)22(18-24-15-7-8-16-24)19-9-5-4-6-10-19;/h4-6,9-14,22-23,25H,2-3,7-8,15-18H2,1H3;1H