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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H](C[NH+]1CC[C@H](C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25NO3/c1-16(14-23-10-9-19(15-23)17-5-3-2-4-6-17)22(24)18-7-8-20-21(13-18)26-12-11-25-20/h2-8,13,16,19H,9-12,14-15H2,1H3/p+1/t16-,19-/m1/s1