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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]butan-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]butan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-phenyl-1-pyrrolidin-1-iumyl]-1-butanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]butan-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]butan-1-one Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+](C[C@@H]1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25NO3/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/p+1/t19-/m1/s1