1,3-dimethyl-7-[2-oxidanyl-3-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]propyl]-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]propyl]-9H-purin-7-ium-2,6-dione Openeye Name: 7-[3-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[2-hydroxy-3-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[3-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-2-hydroxypropyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[3-(2-benzyl-3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C24H26N6O3+2 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(C[N+]3=C(NC4=CC=CC=C43)CC5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(C[N+]3=C(NC4=CC=CC=C43)CC5=CC=CC=C5)O

InChI

InChI=1S/C24H24N6O3/c1-27-22-21(23(32)28(2)24(27)33)29(15-25-22)13-17(31)14-30-19-11-7-6-10-18(19)26-20(30)12-16-8-4-3-5-9-16/h3-11,15,17,31H,12-14H2,1-2H3/p+2