1,3-benzodioxol-5-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H24FN3O3/c1-23(13-16-6-7-19-20(12-16)28-15-27-19)14-21(26)25-10-8-24(9-11-25)18-5-3-2-4-17(18)22/h2-7,12H,8-11,13-15H2,1H3/p+1