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

Systemtic Name: 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,4-dimethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,4-dimethoxyphenyl)sulfonyl-4-(3-fluorobenzyl)piperazin-4-ium Formula: C19H24FN2O4S+ MolecularWeight: 395.468263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C19H23FN2O4S/c1-25-17-6-7-19(18(13-17)26-2)27(23,24)22-10-8-21(9-11-22)14-15-4-3-5-16(20)12-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1