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

Systemtic Name: (3S)-1-(4-iodophenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-iodophenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-quinone Formula: C21H23IN3O2+ MolecularWeight: 476.33069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)I)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)I)CC4=CC=CC=C4

InChI

InChI=1S/C21H22IN3O2/c22-17-6-8-18(9-7-17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2/p+1/t19-/m0/s1