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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

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