5-chloranyl-2-[2-(dimethylazaniumyl)ethyl]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-(dimethylazaniumyl)ethyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(dimethylammonio)ethyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[2-(dimethylammonio)ethyl]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(dimethylazaniumyl)ethyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[2-(dimethylammonio)ethyl]pyrimidine-4-carboxylate Formula: C9H12ClN3O2 MolecularWeight: 229.66348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=NC=C(C(=N1)C(=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCC1=NC=C(C(=N1)C(=O)[O-])Cl

InChI

InChI=1S/C9H12ClN3O2/c1-13(2)4-3-7-11-5-6(10)8(12-7)9(14)15/h5H,3-4H2,1-2H3,(H,14,15)