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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-4-(3-hydroxypropyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-4-(3-hydroxypropyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-(3-hydroxypropyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-4-(3-hydroxypropyl)-3-keto-2-methyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCCO

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-9(15)11-4-5-13-12(8-11)16(6-3-7-17)14(18)10(2)19-13/h4-5,8-10,17H,3,6-7,15H2,1-2H3/p+1/t9-,10+/m0/s1