3-[1,3-benzodioxol-5-ylmethyl-(4-fluorophenyl)amino]propylazanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-(4-fluorophenyl)amino]propylazanium Openeye Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-anilino]propylammonium CAS Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-4-fluoroanilino]propylammonium IUPAC Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-4-fluoroanilino]propylazanium Traditional Name: 3-(4-fluoro-N-piperonyl-anilino)propylammonium Formula: C17H20FN2O2+ MolecularWeight: 303.351303

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC[NH3+])C3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC[NH3+])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN2O2/c18-14-3-5-15(6-4-14)20(9-1-8-19)11-13-2-7-16-17(10-13)22-12-21-16/h2-7,10H,1,8-9,11-12,19H2/p+1