2-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide

Systemtic Name: 2-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Openeye Name: 2-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide CAS Name: 2-methoxy-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]benzamide IUPAC Name: 2-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Traditional Name: 2-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Formula: C27H25N6O2+ MolecularWeight: 465.5264

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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)C5=CC=CC=C5OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C27H24N6O2/c1-19(20-10-4-3-5-11-20)30-27-28-17-16-25(31-27)33(18-29-22-13-7-8-14-23(22)33)32-26(34)21-12-6-9-15-24(21)35-2/h3-19H,1-2H3,(H-,28,30,31,32,34)/p+1