[(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-1-methyl-ethyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC2=C(C=C1)OCCO2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC2=C(C=C1)OCCO2)[NH3+]

InChI

InChI=1S/C13H18N2O3/c1-9(14)13(16)15-5-4-10-2-3-11-12(8-10)18-7-6-17-11/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)/p+1/t9-/m0/s1