[(1S)-1-[2-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(piperonyloylamino)phenyl]ethyl]ammonium Formula: C16H17N2O3+ MolecularWeight: 285.31778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C16H16N2O3/c1-10(17)12-4-2-3-5-13(12)18-16(19)11-6-7-14-15(8-11)21-9-20-14/h2-8,10H,9,17H2,1H3,(H,18,19)/p+1/t10-/m0/s1