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

Systemtic Name: (3S)-1-(4-bromophenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-quinone Formula: C22H24BrN2O2+ MolecularWeight: 428.34216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O2/c23-18-6-8-19(9-7-18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,17,20H,10-15H2/p+1/t20-/m0/s1