3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]-10-phenyl-benzo[g]pteridine-2,4-dione

Systemtic Name: 3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]-10-phenyl-benzo[g]pteridine-2,4-dione Openeye Name: 3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]-10-phenyl-benzo[g]pteridine-2,4-dione CAS Name: 3-[3-(3-methyl-1-benzimidazol-3-iumyl)propyl]-10-phenylbenzo[g]pteridine-2,4-dione IUPAC Name: 3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]-10-phenylbenzo[g]pteridine-2,4-dione Traditional Name: 3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]-10-phenyl-benzo[g]pteridine-2,4-quinone Formula: C27H23N6O2+ MolecularWeight: 463.51052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CCCN3C(=O)C4=NC5=CC=CC=C5N(C4=NC3=O)C6=CC=CC=C6

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CCCN3C(=O)C4=NC5=CC=CC=C5N(C4=NC3=O)C6=CC=CC=C6

InChI

InChI=1S/C27H23N6O2/c1-30-18-31(23-15-8-7-14-22(23)30)16-9-17-32-26(34)24-25(29-27(32)35)33(19-10-3-2-4-11-19)21-13-6-5-12-20(21)28-24/h2-8,10-15,18H,9,16-17H2,1H3/q+1