2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride CAS Name: 2-phenyl-1-(4-propoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanone chloride IUPAC Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-2-16-25-20-12-10-19(11-13-20)22(24)21(17-23-14-6-7-15-23)18-8-4-3-5-9-18;/h3-5,8-13,21H,2,6-7,14-17H2,1H3;1H