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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-3-12(17)11-6-7-15-13(10-11)18(8-5-9-19)16(20)14(4-2)21-15/h6-7,10,12,14,19H,3-5,8-9,17H2,1-2H3/p+1/t12-,14+/m0/s1