N-[6-chloranyl-4-methyl-1-(2-methylphenyl)-1-phenyl-piperazin-1-ium-2-yl]ethanesulfonamide

Systemtic Name: N-[6-chloranyl-4-methyl-1-(2-methylphenyl)-1-phenyl-piperazin-1-ium-2-yl]ethanesulfonamide Openeye Name: N-[6-chloro-4-methyl-1-(o-tolyl)-1-phenyl-piperazin-1-ium-2-yl]ethanesulfonamide CAS Name: N-[6-chloro-4-methyl-1-(2-methylphenyl)-1-phenyl-2-piperazin-1-iumyl]ethanesulfonamide IUPAC Name: N-[6-chloro-4-methyl-1-(2-methylphenyl)-1-phenylpiperazin-1-ium-2-yl]ethanesulfonamide Traditional Name: N-[6-chloro-4-methyl-1-(o-tolyl)-1-phenyl-piperazin-1-ium-2-yl]ethanesulfonamide Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1CN(CC([N+]1(C2=CC=CC=C2)C3=CC=CC=C3C)Cl)C

Isomeric SMILES

CCS(=O)(=O)NC1CN(CC([N+]1(C2=CC=CC=C2)C3=CC=CC=C3C)Cl)C

InChI

InChI=1S/C20H27ClN3O2S/c1-4-27(25,26)22-20-15-23(3)14-19(21)24(20,17-11-6-5-7-12-17)18-13-9-8-10-16(18)2/h5-13,19-20,22H,4,14-15H2,1-3H3/q+1