4-(2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium

Systemtic Name: 4-(2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butylazanium Openeye Name: 4-(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butylammonium CAS Name: 4-(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butylammonium IUPAC Name: 4-(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butylazanium Traditional Name: 4-(3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)butylammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=CC=CC=C2O1)CCCC[NH3+])C

Isomeric SMILES

CC1(C(=O)N(C2=CC=CC=C2O1)CCCC[NH3+])C

InChI

InChI=1S/C14H20N2O2/c1-14(2)13(17)16(10-6-5-9-15)11-7-3-4-8-12(11)18-14/h3-4,7-8H,5-6,9-10,15H2,1-2H3/p+1