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

Systemtic Name: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(3-methylphenoxy)ethyl]-4-tosyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-17-6-8-20(9-7-17)26(23,24)22-12-10-21(11-13-22)14-15-25-19-5-3-4-18(2)16-19/h3-9,16H,10-15H2,1-2H3/p+1