1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-N-benzyl-pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-N-benzylpyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-N-benzyl-pyridin-1-ium-4-carboxamide bromide Formula: C25H29BrN2O2 MolecularWeight: 469.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H28N2O2.BrH/c28-23(25-13-19-10-20(14-25)12-21(11-19)15-25)17-27-8-6-22(7-9-27)24(29)26-16-18-4-2-1-3-5-18;/h1-9,19-21H,10-17H2;1H