1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O5S/c1-25-18-8-9-19(26-2)20(16-18)28(23,24)22-12-10-21(11-13-22)14-15-27-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3/p+1