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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-piperonyl-piperazin-1-ium Formula: C19H21ClFN2O2+ MolecularWeight: 363.833643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20ClFN2O2/c20-16-2-1-3-17(21)15(16)12-23-8-6-22(7-9-23)11-14-4-5-18-19(10-14)25-13-24-18/h1-5,10H,6-9,11-13H2/p+1