1,3-benzodioxol-5-ylmethyl-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-piperonyl-ammonium Formula: C16H17N2O5+ MolecularWeight: 317.31658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c19-14(12-2-1-3-13(7-12)18(20)21)9-17-8-11-4-5-15-16(6-11)23-10-22-15/h1-7,14,17,19H,8-10H2/p+1/t14-/m1/s1