2-[2-[1-(carboxymethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]ethanoic acid

Systemtic Name: 2-[2-[1-(carboxymethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]ethanoic acid Openeye Name: 2-[2-[1-(carboxymethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]acetic acid CAS Name: 2-[2-[1-(carboxymethyl)-3,5-dimethyl-1-pyrazol-1-iumyl]ethylamino]acetic acid IUPAC Name: 2-[2-[1-(carboxymethyl)-3,5-dimethylpyrazol-1-ium-1-yl]ethylamino]acetic acid Traditional Name: 2-[2-[1-(carboxymethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]acetic acid Formula: C11H18N3O4+ MolecularWeight: 256.27832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+]1(CCNCC(=O)O)CC(=O)O)C

Isomeric SMILES

CC1=CC(=N[N+]1(CCNCC(=O)O)CC(=O)O)C

InChI

InChI=1S/C11H17N3O4/c1-8-5-9(2)14(13-8,7-11(17)18)4-3-12-6-10(15)16/h5,12H,3-4,6-7H2,1-2H3,(H-,15,16,17,18)/p+1