3-[1,3-benzodioxol-5-yl(ethyl)amino]propylazanium

Systemtic Name: 3-[1,3-benzodioxol-5-yl(ethyl)amino]propylazanium Openeye Name: 3-[1,3-benzodioxol-5-yl(ethyl)amino]propylammonium CAS Name: 3-[1,3-benzodioxol-5-yl(ethyl)amino]propylammonium IUPAC Name: 3-[1,3-benzodioxol-5-yl(ethyl)amino]propylazanium Traditional Name: 3-[1,3-benzodioxol-5-yl(ethyl)amino]propylammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC[NH3+])C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCN(CCC[NH3+])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H18N2O2/c1-2-14(7-3-6-13)10-4-5-11-12(8-10)16-9-15-11/h4-5,8H,2-3,6-7,9,13H2,1H3/p+1