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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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