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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-3-16(21)14-9-10-18-17(11-14)23(19(24)12-26-18)13(2)20(25)22-15-7-5-4-6-8-15/h4-11,13,16H,3,12,21H2,1-2H3,(H,22,25)/p+1/t13-,16+/m1/s1