ethyl 2-phthalazin-2-ium-2-ylethanoate bromide

Systemtic Name: ethyl 2-phthalazin-2-ium-2-ylethanoate bromide Openeye Name: ethyl 2-phthalazin-2-ium-2-ylacetate bromide CAS Name: 2-(2-phthalazin-2-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-phthalazin-2-ium-2-ylacetate bromide Traditional Name: 2-phthalazin-2-ium-2-ylacetic acid ethyl ester bromide Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=N1.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=N1.[Br-]

InChI

InChI=1S/C12H13N2O2.BrH/c1-2-16-12(15)9-14-8-11-6-4-3-5-10(11)7-13-14;/h3-8H,2,9H2,1H3;1H/q+1;/p-1