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

Systemtic Name: 4-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Openeye Name: 4-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide CAS Name: 4-methoxy-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]benzamide IUPAC Name: 4-methoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Traditional Name: 4-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=C(C=C5)OC

Isomeric SMILES

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

InChI

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