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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-2-11(15)10-4-5-13-12(8-10)16(6-3-7-17)14(18)9-19-13/h4-5,8,11,17H,2-3,6-7,9,15H2,1H3/p+1/t11-/m0/s1