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

Systemtic Name: (3S)-3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-bromophenyl)-4-hydroxy-1-piperidin-1-iumyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C24H28BrN2O4+ MolecularWeight: 488.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C24H27BrN2O4/c1-2-15-31-20-9-7-19(8-10-20)27-22(28)16-21(23(27)29)26-13-11-24(30,12-14-26)17-3-5-18(25)6-4-17/h3-10,21,30H,2,11-16H2,1H3/p+1/t21-/m0/s1