1-(4-fluorophenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C20H26FN2O5S+ MolecularWeight: 425.494243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O5S/c1-26-18-12-15(13-19(27-2)20(18)28-3)14-22-8-10-23(11-9-22)29(24,25)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3/p+1