1-(3,4-dimethylphenyl)sulfonyl-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C

InChI

InChI=1S/C20H25FN2O3S/c1-15-4-6-19(12-16(15)2)27(24,25)23-10-8-22(9-11-23)14-17-13-18(21)5-7-20(17)26-3/h4-7,12-13H,8-11,14H2,1-3H3/p+1