5-[3-(dimethylazaniumyl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 5-[3-(dimethylazaniumyl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: 5-[3-(dimethylammonio)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(dimethylammonio)propylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 5-[3-(dimethylazaniumyl)propylcarbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[3-(dimethylammonio)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C11H18N4O3 MolecularWeight: 254.28562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCCC[NH+](C)C

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-10(16)9-8(11(17)18)7-13-15(9)3/h7H,4-6H2,1-3H3,(H,12,16)(H,17,18)