(3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-(4-iodophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-quinone Formula: C22H22IN4O2+ MolecularWeight: 501.34015

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)C4CC(=O)N(C4=O)C5=CC=C(C=C5)I

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)[C@H]4CC(=O)N(C4=O)C5=CC=C(C=C5)I

InChI

InChI=1S/C22H21IN4O2/c23-15-5-7-16(8-6-15)27-20(28)13-19(22(27)29)26-11-9-14(10-12-26)21-24-17-3-1-2-4-18(17)25-21/h1-8,14,19H,9-13H2,(H,24,25)/p+1/t19-/m0/s1