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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-6-yl]ethyl]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(C)[NH3+])CCCO

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-3-13-15(19)17(7-4-8-18)12-9-11(10(2)16)5-6-14(12)20-13/h5-6,9-10,13,18H,3-4,7-8,16H2,1-2H3/p+1/t10-,13+/m0/s1