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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C24H24FN2O3+ MolecularWeight: 407.457363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H23FN2O3/c25-20-3-5-21(6-4-20)27-11-9-26(10-12-27)15-19-13-17(1-7-22(19)28)18-2-8-23-24(14-18)30-16-29-23/h1-8,13-14,28H,9-12,15-16H2/p+1