1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]-piperonyl-ammonium Formula: C17H19N2O6+ MolecularWeight: 347.34256

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@@H](COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O6/c20-14(10-23-15-4-2-13(3-5-15)19(21)22)9-18-8-12-1-6-16-17(7-12)25-11-24-16/h1-7,14,18,20H,8-11H2/p+1/t14-/m0/s1