ethyl 2-[3-[(pyridin-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-[(pyridin-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-[(2-pyridylamino)carbamoyl]pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[oxo-(2-pyridinylhydrazo)methyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-[(pyridin-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-[(2-pyridylamino)carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C15H17BrN4O3 MolecularWeight: 381.22448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NNC2=CC=CC=N2.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NNC2=CC=CC=N2.[Br-]

InChI

InChI=1S/C15H16N4O3.BrH/c1-2-22-14(20)11-19-9-5-6-12(10-19)15(21)18-17-13-7-3-4-8-16-13;/h3-10H,2,11H2,1H3,(H-,16,17,18,21);1H