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

Systemtic Name: (3S)-3-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-benzyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-benzyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-benzyl-3-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)C4CC(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)[C@H]4CC(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4O3/c28-21-14-20(22(29)26(21)15-16-6-2-1-3-7-16)25-12-10-17(11-13-25)27-19-9-5-4-8-18(19)24-23(27)30/h1-9,17,20H,10-15H2,(H,24,30)/p+1/t20-/m0/s1