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

Systemtic Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Openeye Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide CAS Name: 3-methyl-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]benzamide IUPAC Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Traditional Name: 3-methyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Formula: C27H25N6O+ MolecularWeight: 449.527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N[N+]2(C=NC3=CC=CC=C32)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[N+]2(C=NC3=CC=CC=C32)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O/c1-19-9-8-12-22(17-19)26(34)32-33(18-29-23-13-6-7-14-24(23)33)25-15-16-28-27(31-25)30-20(2)21-10-4-3-5-11-21/h3-18,20H,1-2H3,(H-,28,30,31,32,34)/p+1