3-[1,3-benzodioxol-5-ylmethyl-(2-fluorophenyl)amino]propylazanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-(2-fluorophenyl)amino]propylazanium Openeye Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-anilino]propylammonium CAS Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroanilino]propylammonium IUPAC Name: 3-[N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroanilino]propylazanium Traditional Name: 3-(2-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=CC=C3F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC[NH3+])C3=CC=CC=C3F

InChI

InChI=1S/C17H19FN2O2/c18-14-4-1-2-5-15(14)20(9-3-8-19)11-13-6-7-16-17(10-13)22-12-21-16/h1-2,4-7,10H,3,8-9,11-12,19H2/p+1