2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-fluorophenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-fluorophenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-fluorophenyl)methyl]ammonium CAS Name: 2-ammonioethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-fluorophenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-fluorophenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(4-fluorobenzyl)-piperonyl-ammonium Formula: C17H21FN2O2+2 MolecularWeight: 304.359243

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH+](CC[NH3+])CC3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH+](CC[NH3+])CC3=CC=C(C=C3)F

InChI

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