(E)-3-phenyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]acrylamide Formula: C28H25N6O+ MolecularWeight: 461.5377

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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)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H24N6O/c1-21(23-12-6-3-7-13-23)31-28-29-19-18-26(32-28)34(20-30-24-14-8-9-15-25(24)34)33-27(35)17-16-22-10-4-2-5-11-22/h2-21H,1H3,(H-,29,31,32,33,35)/p+1/b17-16+