1,3-benzodioxol-5-ylmethyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-heptan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-methylhexyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-heptan-2-yl]azanium Traditional Name: [(1S)-1-methylhexyl]-piperonyl-ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H23NO2/c1-3-4-5-6-12(2)16-10-13-7-8-14-15(9-13)18-11-17-14/h7-9,12,16H,3-6,10-11H2,1-2H3/p+1/t12-/m0/s1