ethyl (E)-3-(2-azanyl-5-bromanyl-pyridin-1-ium-3-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(2-azanyl-5-bromanyl-pyridin-1-ium-3-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(2-amino-5-bromo-pyridin-1-ium-3-yl)prop-2-enoate CAS Name: (E)-3-(2-amino-5-bromo-3-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-amino-5-bromopyridin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-3-(2-amino-5-bromo-pyridin-1-ium-3-yl)acrylic acid ethyl ester Formula: C10H12BrN2O2+ MolecularWeight: 272.11848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C[NH+]=C1N)Br

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C[NH+]=C1N)Br

InChI

InChI=1S/C10H11BrN2O2/c1-2-15-9(14)4-3-7-5-8(11)6-13-10(7)12/h3-6H,2H2,1H3,(H2,12,13)/p+1/b4-3+