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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C22H28FN3O3+2 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H26FN3O3/c1-24(13-17-6-7-20-21(12-17)29-16-28-20)15-22(27)26-10-8-25(9-11-26)14-18-4-2-3-5-19(18)23/h2-7,12H,8-11,13-16H2,1H3/p+2