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

Systemtic Name: [(1S)-1-[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-4-(2-amino-2-oxo-ethyl)-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-4-(2-amino-2-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-(2-amino-2-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-4-(2-amino-2-keto-ethyl)-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C15H22N3O3+ MolecularWeight: 292.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC(=O)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)N)C(C)C)[NH3+]

InChI

InChI=1S/C15H21N3O3/c1-8(2)14-15(20)18(7-13(17)19)11-6-10(9(3)16)4-5-12(11)21-14/h4-6,8-9,14H,7,16H2,1-3H3,(H2,17,19)/p+1/t9-,14+/m0/s1