1-(3,4-dimethoxyphenyl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride CAS Name: 1-(3,4-dimethoxyphenyl)-3-(3-phenyl-1-pyrrolidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC[NH+]2CCC(C2)C3=CC=CC=C3)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC[NH+]2CCC(C2)C3=CC=CC=C3)OC.[Cl-]

InChI

InChI=1S/C21H25NO3.ClH/c1-24-20-9-8-17(14-21(20)25-2)19(23)11-13-22-12-10-18(15-22)16-6-4-3-5-7-16;/h3-9,14,18H,10-13,15H2,1-2H3;1H