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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C23H25FN3O2+ MolecularWeight: 394.461903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24FN3O2/c24-20-5-1-2-6-21(20)27-9-3-4-19(27)16-26-12-10-25(11-13-26)15-18-7-8-22-23(14-18)29-17-28-22/h1-9,14H,10-13,15-17H2/p+1