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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-fluorophenyl)-2-oxidanyl-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-fluorophenyl)-2-hydroxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-fluorophenyl)-2-hydroxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-fluorophenyl)-2-hydroxyphenyl]methyl]azanium Traditional Name: [5-(4-fluorophenyl)-2-hydroxy-benzyl]-piperonyl-ammonium Formula: C21H19FNO3+ MolecularWeight: 352.378863

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=C(C=CC(=C3)C4=CC=C(C=C4)F)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=C(C=CC(=C3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H18FNO3/c22-18-5-2-15(3-6-18)16-4-7-19(24)17(10-16)12-23-11-14-1-8-20-21(9-14)26-13-25-20/h1-10,23-24H,11-13H2/p+1