1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluoranyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluoranyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluoro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-ethoxy-4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-ethoxy-4-fluoro-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H24FN2O5S+ MolecularWeight: 423.478363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C20H23FN2O5S/c1-2-26-19-12-16(4-5-17(19)21)29(24,25)23-9-7-22(8-10-23)13-15-3-6-18-20(11-15)28-14-27-18/h3-6,11-12H,2,7-10,13-14H2,1H3/p+1