3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione IUPAC Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: 1-methyl-3-(2-methylol-3H-benzimidazol-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C13H14N3O3+ MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[N+]2=C(NC3=CC=CC=C32)CO

Isomeric SMILES

CN1C(=O)CC(C1=O)[N+]2=C(NC3=CC=CC=C32)CO

InChI

InChI=1S/C13H13N3O3/c1-15-12(18)6-10(13(15)19)16-9-5-3-2-4-8(9)14-11(16)7-17/h2-5,10,17H,6-7H2,1H3/p+1