(2R)-1-[2-(4-bromophenyl)sulfonylethyl]-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium

Systemtic Name: (2R)-1-[2-(4-bromophenyl)sulfonylethyl]-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium Openeye Name: (2R)-1-[2-(4-bromophenyl)sulfonylethyl]-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium CAS Name: (2R)-1-[2-(4-bromophenyl)sulfonylethyl]-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium IUPAC Name: (2R)-1-[2-(4-bromophenyl)sulfonylethyl]-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium Traditional Name: (2R)-1-(2-brosylethyl)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium Formula: C20H25BrNO4S+ MolecularWeight: 455.3858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrNO4S/c1-25-16-7-10-20(26-2)18(14-16)19-4-3-11-22(19)12-13-27(23,24)17-8-5-15(21)6-9-17/h5-10,14,19H,3-4,11-13H2,1-2H3/p+1/t19-/m1/s1