trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[[4-(1H-pyrazol-5-yl)phenyl]carbonylamino]butyl]azanium

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[[4-(1H-pyrazol-5-yl)phenyl]carbonylamino]butyl]azanium Openeye Name: [(2R)-4-hydroxy-4-oxo-2-[[4-(1H-pyrazol-5-yl)benzoyl]amino]butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[[oxo-[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]butyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-[[4-(1H-pyrazol-5-yl)benzoyl]amino]butyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[4-(1H-pyrazol-5-yl)benzoyl]amino]butyl]-trimethyl-ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)NC(=O)C1=CC=C(C=C1)C2=CC=NN2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)C1=CC=C(C=C1)C2=CC=NN2

InChI

InChI=1S/C17H22N4O3/c1-21(2,3)11-14(10-16(22)23)19-17(24)13-6-4-12(5-7-13)15-8-9-18-20-15/h4-9,14H,10-11H2,1-3H3,(H2-,18,19,20,22,23,24)/p+1/t14-/m1/s1