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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CC(=O)NC3=CC=CC=C3

InChI

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