1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H28N2O4S/c1-17-4-9-21(18(2)16-17)28(24,25)23-12-10-22(11-13-23)14-15-27-20-7-5-19(26-3)6-8-20/h4-9,16H,10-15H2,1-3H3/p+1