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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenyl-1-pyrrolidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-ium-1-yl)propan-1-one chloride Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3.ClH/c23-19(17-6-7-20-21(14-17)25-13-12-24-20)9-11-22-10-8-18(15-22)16-4-2-1-3-5-16;/h1-7,14,18H,8-13,15H2;1H