[(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[4-(2-anilino-2-oxo-ethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-(2-anilino-2-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2-anilino-2-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[4-(2-anilino-2-keto-ethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NC3=CC=CC=C3)(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NC3=CC=CC=C3)(C)C)[NH3+]

InChI

InChI=1S/C20H23N3O3/c1-13(21)14-9-10-17-16(11-14)23(19(25)20(2,3)26-17)12-18(24)22-15-7-5-4-6-8-15/h4-11,13H,12,21H2,1-3H3,(H,22,24)/p+1/t13-/m0/s1