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

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-benzyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-benzylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-benzyl-pyrrolidine-2,5-quinone Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)C4CC(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)[C@H]4CC(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4O2/c28-21-14-20(23(29)27(21)15-16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-18-8-4-5-9-19(18)25-22/h1-9,17,20H,10-15H2,(H,24,25)/p+1/t20-/m0/s1