methyl 2-[2-[1-(2-methoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]ethanoate

Systemtic Name: methyl 2-[2-[1-(2-methoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]ethanoate Openeye Name: methyl 2-[2-[1-(2-methoxy-2-oxo-ethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]acetate CAS Name: 2-[2-[1-(2-methoxy-2-oxoethyl)-3,5-dimethyl-1-pyrazol-1-iumyl]ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(2-methoxy-2-oxoethyl)-3,5-dimethylpyrazol-1-ium-1-yl]ethylamino]acetate Traditional Name: 2-[2-[1-(2-keto-2-methoxy-ethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]acetic acid methyl ester Formula: C13H22N3O4+ MolecularWeight: 284.33148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N3O4/c1-10-7-11(2)16(15-10,9-13(18)20-4)6-5-14-8-12(17)19-3/h7,14H,5-6,8-9H2,1-4H3/q+1