1-(4-methoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N2O4S/c1-17-4-3-5-19(16-17)26-15-14-21-10-12-22(13-11-21)27(23,24)20-8-6-18(25-2)7-9-20/h3-9,16H,10-15H2,1-2H3/p+1