N-[1-[2-(1-phenylethylamino)pyrimidin-5-yl]benzimidazol-1-ium-1-yl]butanamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-5-yl]benzimidazol-1-ium-1-yl]butanamide Openeye Name: N-[1-[2-(1-phenylethylamino)pyrimidin-5-yl]benzimidazol-1-ium-1-yl]butanamide CAS Name: N-[1-[2-(1-phenylethylamino)-5-pyrimidinyl]-1-benzimidazol-1-iumyl]butanamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-5-yl]benzimidazol-1-ium-1-yl]butanamide Traditional Name: N-[1-[2-(1-phenylethylamino)pyrimidin-5-yl]benzimidazol-1-ium-1-yl]butyramide Formula: C23H25N6O+ MolecularWeight: 401.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=CN=C(N=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N[N+]1(C=NC2=CC=CC=C21)C3=CN=C(N=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C23H24N6O/c1-3-9-22(30)28-29(16-26-20-12-7-8-13-21(20)29)19-14-24-23(25-15-19)27-17(2)18-10-5-4-6-11-18/h4-8,10-17H,3,9H2,1-2H3,(H-,24,25,27,28,30)/p+1