1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C20H26FN2O5S+ MolecularWeight: 425.494243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC)OC

InChI

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