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

Systemtic Name: 1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(3,4-dichlorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C14H11BrCl2N2O2 MolecularWeight: 390.05934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N2O2.BrH/c15-11-4-3-9(6-12(11)16)13(19)8-18-5-1-2-10(7-18)14(17)20;/h1-7H,8H2,(H-,17,20);1H