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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-benzylpyridin-1-ium-1-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-benzylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(4-benzylpyridin-1-ium-1-yl)acetamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O2/c29-23(17-28-8-6-19(7-9-28)10-18-4-2-1-3-5-18)26-24(30)27-25-14-20-11-21(15-25)13-22(12-20)16-25/h1-9,20-22H,10-17H2,(H-,26,27,29,30)/p+1