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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-chloro-4-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=C(C=C2)F)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)CC3=CC4=C(C=C3)OCO4

InChI

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