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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-isopropyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-isopropyl-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-5-12(17)11-7-8-15-13(9-11)18(10(3)4)16(19)14(6-2)20-15/h7-10,12,14H,5-6,17H2,1-4H3/p+1/t12-,14+/m0/s1