2,2-bis(2-hydroxyethyl)-5-oxidanylidene-1-phenyl-pyrazol-2-ium-3-carboxamide

Systemtic Name: 2,2-bis(2-hydroxyethyl)-5-oxidanylidene-1-phenyl-pyrazol-2-ium-3-carboxamide Openeye Name: 2,2-bis(2-hydroxyethyl)-5-oxo-1-phenyl-pyrazol-2-ium-3-carboxamide CAS Name: 2,2-bis(2-hydroxyethyl)-5-oxo-1-phenyl-3-pyrazol-2-iumcarboxamide IUPAC Name: 2,2-bis(2-hydroxyethyl)-5-oxo-1-phenylpyrazol-2-ium-3-carboxamide Traditional Name: 2,2-bis(2-hydroxyethyl)-5-keto-1-phenyl-3-pyrazolin-2-ium-3-carboxamide Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C([N+]2(CCO)CCO)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C([N+]2(CCO)CCO)C(=O)N

InChI

InChI=1S/C14H17N3O4/c15-14(21)12-10-13(20)16(11-4-2-1-3-5-11)17(12,6-8-18)7-9-19/h1-5,10,18-19H,6-9H2,(H-,15,21)/p+1