5-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: 5-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 5-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 5-[(4-methyl-2-morpholinyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-[(4-methylmorpholin-2-yl)methyl]benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C25H30N7O+ MolecularWeight: 444.552

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=C3C=CC(=C4)CC5CN(CCO5)C)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CN(CCO5)C)N

InChI

InChI=1S/C25H30N7O/c1-18(20-6-4-3-5-7-20)29-25-27-11-10-24(30-25)32(26)17-28-22-15-19(8-9-23(22)32)14-21-16-31(2)12-13-33-21/h3-11,15,17-18,21H,12-14,16,26H2,1-2H3,(H,27,29,30)/q+1