3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide

Systemtic Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide Openeye Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide CAS Name: 3-methyl-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]butanamide IUPAC Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butanamide Traditional Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]butyramide Formula: C24H27N6O+ MolecularWeight: 415.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O/c1-17(2)15-23(31)29-30(16-26-20-11-7-8-12-21(20)30)22-13-14-25-24(28-22)27-18(3)19-9-5-4-6-10-19/h4-14,16-18H,15H2,1-3H3,(H-,25,27,28,29,31)/p+1