(3S)-1-(4-bromophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-bromophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-bromophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-[(3R)-3-methyl-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-bromophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-bromophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C16H20BrN2O2+ MolecularWeight: 352.2462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN2O2/c1-11-3-2-8-18(10-11)14-9-15(20)19(16(14)21)13-6-4-12(17)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3/p+1/t11-,14+/m1/s1