N-(1-adamantylcarbamoyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-benzoylpyridin-1-ium-1-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(4-benzoyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-benzoylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(4-benzoylpyridin-1-ium-1-yl)acetamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3/c29-22(16-28-8-6-21(7-9-28)23(30)20-4-2-1-3-5-20)26-24(31)27-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-9,17-19H,10-16H2,(H-,26,27,29,31)/p+1