4-[(4-fluorophenyl)methoxy]-3,4-dimethyl-1-(phenylsulfonyl)piperazin-4-ium-2-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-3,4-dimethyl-1-(phenylsulfonyl)piperazin-4-ium-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3,4-dimethyl-piperazin-4-ium-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3,4-dimethyl-2-piperazin-4-iumcarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3,4-dimethylpiperazin-4-ium-2-carboxylic acid Traditional Name: 1-besyl-4-(4-fluorobenzyl)oxy-3,4-dimethyl-piperazin-4-ium-2-carboxylic acid Formula: C20H24FN2O5S+ MolecularWeight: 423.478363

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC[N+]1(C)OCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CC[N+]1(C)OCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

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