ethanedioic acid; 2-(ethylaminooxy)-N-[(3-methylpyridin-2-yl)methyl]benzonitrilium; hydrate

Systemtic Name: ethanedioic acid; 2-(ethylaminooxy)-N-[(3-methylpyridin-2-yl)methyl]benzonitrilium; hydrate Openeye Name: 2-(ethylaminooxy)-N-[(3-methyl-2-pyridyl)methyl]benzonitrilium; oxalic acid; hydrate CAS Name: 2-(ethylaminooxy)-N-[(3-methyl-2-pyridinyl)methyl]benzonitrilium; oxalic acid; hydrate IUPAC Name: 2-(ethylaminooxy)-N-[(3-methylpyridin-2-yl)methyl]benzonitrilium; oxalic acid; hydrate Traditional Name: 2-(ethylaminooxy)-N-[(3-methyl-2-pyridyl)methyl]benzonitrilium; oxalic acid; hydrate Formula: C18H22N3O6+ MolecularWeight: 376.38378

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Descriptors Computed from Structure

Canonical SMILES:

CCNOC1=CC=CC=C1C#[N+]CC2=C(C=CC=N2)C.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCNOC1=CC=CC=C1C#[N+]CC2=C(C=CC=N2)C.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C16H18N3O.C2H2O4.H2O/c1-3-19-20-16-9-5-4-8-14(16)11-17-12-15-13(2)7-6-10-18-15;3-1(4)2(5)6;/h4-10,19H,3,12H2,1-2H3;(H,3,4)(H,5,6);1H2/q+1;;