1-(5-chloranyl-2-methyl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-tosyl-piperazin-1-ium Formula: C18H22ClN2O2S+ MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2S/c1-14-3-7-17(8-4-14)24(22,23)21-11-9-20(10-12-21)18-13-16(19)6-5-15(18)2/h3-8,13H,9-12H2,1-2H3/p+1