N-hexa-1,5-dien-3-yl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: N-hexa-1,5-dien-3-yl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(1-vinylbut-3-enyl)benzimidazol-1-ium-1-amine CAS Name: N-hexa-1,5-dien-3-yl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-hexa-1,5-dien-3-yl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: 1-phenylethyl-[4-[1-(1-vinylbut-3-enylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amine Formula: C25H27N6+ MolecularWeight: 411.52208

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)NC(CC=C)C=C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N6/c1-4-11-21(5-2)30-31(18-27-22-14-9-10-15-23(22)31)24-16-17-26-25(29-24)28-19(3)20-12-7-6-8-13-20/h4-10,12-19,21,30H,1-2,11H2,3H3,(H,26,28,29)/q+1