1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-ium-1-yl)butan-1-one chloride

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-ium-1-yl)butan-1-one chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-ium-1-yl)butan-1-one chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenyl-1-pyrrolidin-1-iumyl)-1-butanone chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-ium-1-yl)butan-1-one chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-ium-1-yl)butan-1-one chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.[Cl-]

Isomeric SMILES

C1C[NH+](CC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.[Cl-]

InChI

InChI=1S/C22H25NO3.ClH/c24-20(18-8-9-21-22(15-18)26-14-13-25-21)7-4-11-23-12-10-19(16-23)17-5-2-1-3-6-17;/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2;1H