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

Systemtic Name: 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(4-bromoanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(4-bromoanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(4-bromoanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C14H13BrClN3O2 MolecularWeight: 370.62892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)N.[Cl-]

InChI

InChI=1S/C14H12BrN3O2.ClH/c15-11-3-5-12(6-4-11)17-13(19)9-18-7-1-2-10(8-18)14(16)20;/h1-8H,9H2,(H2-,16,17,19,20);1H