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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C19H24ClN2O4S+ MolecularWeight: 411.92286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2O4S/c1-25-17-7-8-18(26-2)19(13-17)27(23,24)22-11-9-21(10-12-22)14-15-3-5-16(20)6-4-15/h3-8,13H,9-12,14H2,1-2H3/p+1