2-[3-(3,5-dimethoxyphenyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]ethylazanium

Systemtic Name: 2-[3-(3,5-dimethoxyphenyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]ethylazanium Openeye Name: 2-[3-(3,5-dimethoxyphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]ethylammonium CAS Name: 2-[3-(3,5-dimethoxyphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]ethylammonium IUPAC Name: 2-[3-(3,5-dimethoxyphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]ethylazanium Traditional Name: 2-[3-(3,5-dimethoxyphenyl)-5-keto-3-pyrazolin-4-yl]ethylammonium Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(C(=O)NN2)CC[NH3+])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(C(=O)NN2)CC[NH3+])OC

InChI

InChI=1S/C13H17N3O3/c1-18-9-5-8(6-10(7-9)19-2)12-11(3-4-14)13(17)16-15-12/h5-7H,3-4,14H2,1-2H3,(H2,15,16,17)/p+1