1,3-benzodioxol-5-ylmethyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloro-6-fluoro-phenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloro-6-fluorophenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloro-6-fluorophenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-piperonyl-(4-pyridylmethyl)ammonium Formula: C21H19ClFN2O2+ MolecularWeight: 385.839163

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=NC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=NC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN2O2/c22-18-2-1-3-19(23)17(18)13-25(11-15-6-8-24-9-7-15)12-16-4-5-20-21(10-16)27-14-26-20/h1-10H,11-14H2/p+1