2-methyl-3-(phenylmethyl)-1-propan-2-yl-benzo[f]benzimidazol-3-ium-4,9-dione bromide

Systemtic Name: 2-methyl-3-(phenylmethyl)-1-propan-2-yl-benzo[f]benzimidazol-3-ium-4,9-dione bromide Openeye Name: 3-benzyl-1-isopropyl-2-methyl-benzo[f]benzimidazol-3-ium-4,9-dione bromide CAS Name: 2-methyl-3-(phenylmethyl)-1-propan-2-ylbenzo[f]benzimidazol-3-ium-4,9-dione bromide IUPAC Name: 3-benzyl-2-methyl-1-propan-2-ylbenzo[f]benzimidazol-3-ium-4,9-dione bromide Traditional Name: 3-benzyl-1-isopropyl-2-methyl-benzo[f]benzimidazol-3-ium-4,9-quinone bromide Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C(C)C)C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(N1C(C)C)C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H21N2O2.BrH/c1-14(2)24-15(3)23(13-16-9-5-4-6-10-16)19-20(24)22(26)18-12-8-7-11-17(18)21(19)25;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1