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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-3-11(16)10-5-6-14-12(9-10)17(7-8-18)15(19)13(4-2)20-14/h5-6,9,11,13,18H,3-4,7-8,16H2,1-2H3/p+1/t11-,13+/m0/s1