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

Systemtic Name: 3,4-dimethyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Openeye Name: 3,4-dimethyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide CAS Name: 3,4-dimethyl-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]benzamide IUPAC Name: 3,4-dimethyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Traditional Name: 3,4-dimethyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]benzamide Formula: C28H27N6O+ MolecularWeight: 463.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N6O/c1-19-13-14-23(17-20(19)2)27(35)33-34(18-30-24-11-7-8-12-25(24)34)26-15-16-29-28(32-26)31-21(3)22-9-5-4-6-10-22/h4-18,21H,1-3H3,(H-,29,31,32,33,35)/p+1