1-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(2-keto-2-mesityl-ethyl)pyridin-1-ium-3-carboxamide bromide Formula: C17H19BrN2O2 MolecularWeight: 363.24896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C.[Br-]

InChI

InChI=1S/C17H18N2O2.BrH/c1-11-7-12(2)16(13(3)8-11)15(20)10-19-6-4-5-14(9-19)17(18)21;/h4-9H,10H2,1-3H3,(H-,18,21);1H