1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium Formula: C19H24ClN2O5S+ MolecularWeight: 427.92226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2O5S/c1-25-17-12-15(13-18(26-2)19(17)27-3)21-8-10-22(11-9-21)28(23,24)16-6-4-14(20)5-7-16/h4-7,12-13H,8-11H2,1-3H3/p+1