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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[4-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-[(2R)-1-anilino-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(2R)-1-anilino-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(1R)-2-anilino-2-keto-1-methyl-ethyl]-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)NC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2[C@H](C)C(=O)NC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C19H21N3O3/c1-12(20)14-8-9-17-16(10-14)22(18(23)11-25-17)13(2)19(24)21-15-6-4-3-5-7-15/h3-10,12-13H,11,20H2,1-2H3,(H,21,24)/p+1/t12-,13+/m0/s1