1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(4-isobutoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(4-isobutoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO2.ClH/c1-18(2)17-26-21-12-10-20(11-13-21)23(25)22(16-24-14-6-7-15-24)19-8-4-3-5-9-19;/h3-5,8-13,18,22H,6-7,14-17H2,1-2H3;1H