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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: 3-hydroxypropyl-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: 3-hydroxypropyl-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: 3-hydroxypropyl-[(1S)-1-(3-keto-4H-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)N2)[NH2+]CCCO

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCCO

InChI

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