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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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