2-[(2S)-7-azanyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-7-azanyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-7-amino-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-7-amino-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-7-amino-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-7-amino-3-keto-2-phenyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=C(C=C(C=C2)N)OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN1C2=C(C=C(C=C2)N)O[C@H](C1=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2/c1-20(2)10-11-21-15-9-8-14(19)12-16(15)23-17(18(21)22)13-6-4-3-5-7-13/h3-9,12,17H,10-11,19H2,1-2H3/p+1/t17-/m0/s1