1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one; (2R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one; (2R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-4H-pyrazol-1-ium-3-one; (2R)-2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one; (2R)-2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one; (2R)-2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-2-pyrazolin-1-ium-3-one; (2R)-2,3,4-trihydroxy-4-keto-butyrate Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=O)C1NC(C)C)C2=CC=CC=C2)C.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC1=[N+](N(C(=O)C1NC(C)C)C2=CC=CC=C2)C.[C@@H](C(C(=O)O)O)(C(=O)[O-])O

InChI

InChI=1S/C14H20N3O.C4H6O6/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;5-1(3(7)8)2(6)4(9)10/h5-10,13,15H,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t;1-,2?/m.1/s1