1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(2-methylbenzyl)piperazin-4-ium Formula: C18H21ClFN2O2S+ MolecularWeight: 383.887943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H20ClFN2O2S/c1-14-4-2-3-5-15(14)13-21-8-10-22(11-9-21)25(23,24)16-6-7-18(20)17(19)12-16/h2-7,12H,8-11,13H2,1H3/p+1