(6-nitro-1,3-benzodioxol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-[[(2S)-2-oxolanyl]methyl]ammonium IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C13H17N2O5+ MolecularWeight: 281.28448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1C[C@H](OC1)C[NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H16N2O5/c16-15(17)11-5-13-12(19-8-20-13)4-9(11)6-14-7-10-2-1-3-18-10/h4-5,10,14H,1-3,6-8H2/p+1/t10-/m0/s1