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

Systemtic Name: [(1S)-1-[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)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-(2-anilino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2-anilino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[4-(2-anilino-2-keto-ethyl)-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C18H20N3O3+ MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-12(19)13-7-8-16-15(9-13)21(18(23)11-24-16)10-17(22)20-14-5-3-2-4-6-14/h2-9,12H,10-11,19H2,1H3,(H,20,22)/p+1/t12-/m0/s1