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

Systemtic Name: methyl 2-[2-[1-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-1-ium-1-yl]ethylamino]ethanoate Openeye Name: methyl 2-[2-[1-(2-methoxy-2-oxo-ethyl)pyrazol-1-ium-1-yl]ethylamino]acetate CAS Name: 2-[2-[1-(2-methoxy-2-oxoethyl)-1-pyrazol-1-iumyl]ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(2-methoxy-2-oxoethyl)pyrazol-1-ium-1-yl]ethylamino]acetate Traditional Name: 2-[2-[1-(2-keto-2-methoxy-ethyl)pyrazol-1-ium-1-yl]ethylamino]acetic acid methyl ester Formula: C11H18N3O4+ MolecularWeight: 256.27832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCC[N+]1(C=CC=N1)CC(=O)OC

Isomeric SMILES

COC(=O)CNCC[N+]1(C=CC=N1)CC(=O)OC

InChI

InChI=1S/C11H18N3O4/c1-17-10(15)8-12-5-7-14(6-3-4-13-14)9-11(16)18-2/h3-4,6,12H,5,7-9H2,1-2H3/q+1