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

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-4-11(16)10-6-7-14-12(8-10)17(9-19-3)15(18)13(5-2)20-14/h6-8,11,13H,4-5,9,16H2,1-3H3/p+1/t11-,13+/m0/s1