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

Systemtic Name: N-pentyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-pentyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-pentyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-pentyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: amyl-[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:

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

Isomeric SMILES

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

InChI

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