ethyl 2-[3-(4-methanoyl-1-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-(4-methanoyl-1-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-(4-formyl-1-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-(4-formyl-1-phenyl-3-pyrazolyl)-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(4-formyl-1-phenylpyrazol-3-yl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-(4-formyl-1-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C2=NN(C=C2C=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C2=NN(C=C2C=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18N3O3.BrH/c1-2-25-18(24)13-21-10-6-7-15(11-21)19-16(14-23)12-22(20-19)17-8-4-3-5-9-17;/h3-12,14H,2,13H2,1H3;1H/q+1;/p-1