[(2R)-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]propyl]-isopropyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]propyl]-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]propyl]-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]propyl]-isopropyl-ammonium Formula: C14H21N2O6+ MolecularWeight: 313.32634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC(=CC2=C1OCCO2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)[NH2+]C[C@H](COC1=CC(=CC2=C1OCCO2)[N+](=O)[O-])O

InChI

InChI=1S/C14H20N2O6/c1-9(2)15-7-11(17)8-22-13-6-10(16(18)19)5-12-14(13)21-4-3-20-12/h5-6,9,11,15,17H,3-4,7-8H2,1-2H3/p+1/t11-/m1/s1