1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonyl-piperazin-1-ium Formula: C24H27N2O4S+ MolecularWeight: 439.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-29-23-9-5-6-10-24(23)30-21-11-13-22(14-12-21)31(27,28)26-17-15-25(16-18-26)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3/p+1