(3R)-3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(4-bromophenyl)-4-hydroxy-1-piperidin-1-iumyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C22H24BrN2O4+ MolecularWeight: 460.34096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H23BrN2O4/c1-29-18-8-6-17(7-9-18)25-20(26)14-19(21(25)27)24-12-10-22(28,11-13-24)15-2-4-16(23)5-3-15/h2-9,19,28H,10-14H2,1H3/p+1/t19-/m1/s1