2,3-dimethoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide

Systemtic Name: 2,3-dimethoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Openeye Name: 2,3-dimethoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide CAS Name: 2,3-dimethoxy-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]benzamide IUPAC Name: 2,3-dimethoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Traditional Name: 2,3-dimethoxy-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Formula: C28H27N6O3+ MolecularWeight: 495.55238

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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=C(C(=CC=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N6O3/c1-19(20-10-5-4-6-11-20)31-28-29-17-16-25(32-28)34(18-30-22-13-7-8-14-23(22)34)33-27(35)21-12-9-15-24(36-2)26(21)37-3/h4-19H,1-3H3,(H-,29,31,32,33,35)/p+1