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

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(phenylmethyl)benzimidazol-1-ium-1-amine Openeye Name: N-benzyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(phenylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: N-benzyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: benzyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C26H25N6+ MolecularWeight: 421.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5=CC=CC=C5

InChI

InChI=1S/C26H25N6/c1-20(22-12-6-3-7-13-22)30-26-27-17-16-25(31-26)32(29-18-21-10-4-2-5-11-21)19-28-23-14-8-9-15-24(23)32/h2-17,19-20,29H,18H2,1H3,(H,27,30,31)/q+1