4-(5-oxidanylidene-3-phenyl-2H-1,2-oxazol-4-yl)butylazanium

Systemtic Name: 4-(5-oxidanylidene-3-phenyl-2H-1,2-oxazol-4-yl)butylazanium Openeye Name: 4-(5-oxo-3-phenyl-2H-isoxazol-4-yl)butylammonium CAS Name: 4-(5-oxo-3-phenyl-2H-isoxazol-4-yl)butylammonium IUPAC Name: 4-(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)butylazanium Traditional Name: 4-(5-keto-3-phenyl-3-isoxazolin-4-yl)butylammonium Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)ON2)CCCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)ON2)CCCC[NH3+]

InChI

InChI=1S/C13H16N2O2/c14-9-5-4-8-11-12(15-17-13(11)16)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9,14H2/p+1