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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-chlorobenzyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C19H24ClN2O2S+ MolecularWeight: 379.92406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN2O2S/c1-15-6-7-16(2)19(12-15)25(23,24)22-10-8-21(9-11-22)14-17-4-3-5-18(20)13-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1