N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-2-phenylmethoxy-ethanamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-2-phenylmethoxy-ethanamide Openeye Name: 2-benzyloxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]acetamide CAS Name: N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]-2-phenylmethoxyacetamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]-2-phenylmethoxyacetamide Traditional Name: 2-benzoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]acetamide Formula: C28H27N6O2+ MolecularWeight: 479.55298

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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)NC(=O)COCC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C28H26N6O2/c1-21(23-12-6-3-7-13-23)31-28-29-17-16-26(32-28)34(20-30-24-14-8-9-15-25(24)34)33-27(35)19-36-18-22-10-4-2-5-11-22/h2-17,20-21H,18-19H2,1H3,(H-,29,31,32,33,35)/p+1