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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C20H26ClN2O5S+ MolecularWeight: 441.94884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C20H25ClN2O5S/c1-26-18-13-20(28-3)19(27-2)12-15(18)14-22-8-10-23(11-9-22)29(24,25)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3/p+1