1,3-benzodioxol-5-ylmethyl-[2-[[(2S)-2-oxidanylpropyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(2S)-2-oxidanylpropyl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(2S)-2-hydroxypropyl]amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(2S)-2-hydroxypropyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[[(2S)-2-hydroxypropyl]amino]ethyl]azanium Traditional Name: 2-[[(2S)-2-hydroxypropyl]amino]ethyl-piperonyl-ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC[NH2+]CC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-10(16)7-14-4-5-15-8-11-2-3-12-13(6-11)18-9-17-12/h2-3,6,10,14-16H,4-5,7-9H2,1H3/p+1/t10-/m0/s1