1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C14H12Br2N2O2 MolecularWeight: 400.06528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN2O2.BrH/c15-12-5-3-10(4-6-12)13(18)9-17-7-1-2-11(8-17)14(16)19;/h1-8H,9H2,(H-,16,19);1H