1-(3-chlorophenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium Formula: C20H26ClN2O2S+ MolecularWeight: 393.95064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2S/c1-16-6-7-17(2)20(14-16)26(24,25)13-12-22-8-10-23(11-9-22)19-5-3-4-18(21)15-19/h3-7,14-15H,8-13H2,1-2H3/p+1