ethyl 2-(2-azanyl-5-bromanyl-pyridin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(2-azanyl-5-bromanyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(2-amino-5-bromo-pyridin-1-ium-1-yl)acetate CAS Name: 2-(2-amino-5-bromo-1-pyridin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-5-bromopyridin-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-5-bromo-pyridin-1-ium-1-yl)acetic acid ethyl ester Formula: C9H12BrN2O2+ MolecularWeight: 260.10778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C=CC(=C1)Br)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C9H11BrN2O2/c1-2-14-9(13)6-12-5-7(10)3-4-8(12)11/h3-5,11H,2,6H2,1H3/p+1