1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(2,5-dichlorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(2,5-dichlorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C18H21Cl2N2O2S+ MolecularWeight: 400.34254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O2S/c19-16-6-7-17(20)18(14-16)25(23,24)22-12-10-21(11-13-22)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2/p+1