N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: neopentyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C24H29N6+ MolecularWeight: 401.52726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC(C)(C)C

InChI

InChI=1S/C24H29N6/c1-18(19-10-6-5-7-11-19)28-23-25-15-14-22(29-23)30(27-16-24(2,3)4)17-26-20-12-8-9-13-21(20)30/h5-15,17-18,27H,16H2,1-4H3,(H,25,28,29)/q+1