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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-isopropyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-isopropyl-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-5-13-15(18)17(9(2)3)12-8-11(10(4)16)6-7-14(12)19-13/h6-10,13H,5,16H2,1-4H3/p+1/t10-,13+/m0/s1