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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CCCO)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCCO)[NH3+]

InChI

InChI=1S/C13H18N2O3/c1-9(14)10-3-4-12-11(7-10)15(5-2-6-16)13(17)8-18-12/h3-4,7,9,16H,2,5-6,8,14H2,1H3/p+1/t9-/m0/s1