1-(3,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H25FN2O2S/c1-15-4-9-20(14-16(15)2)26(24,25)23-12-10-22(11-13-23)17(3)18-5-7-19(21)8-6-18/h4-9,14,17H,10-13H2,1-3H3/p+1/t17-/m1/s1