4-methylsulfonyl-1-(2-phenoxyethyl)-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 4-methylsulfonyl-1-(2-phenoxyethyl)-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-methylsulfonyl-1-(2-phenoxyethyl)piperazin-1-ium CAS Name: 4-methylsulfonyl-1-(2-phenoxyethyl)-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-methylsulfonyl-1-(2-phenoxyethyl)piperazin-1-ium Traditional Name: 1-benzyl-4-mesyl-1-(2-phenoxyethyl)piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[N+](CC1)(CCOC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC[N+](CC1)(CCOC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N2O3S/c1-26(23,24)21-12-14-22(15-13-21,18-19-8-4-2-5-9-19)16-17-25-20-10-6-3-7-11-20/h2-11H,12-18H2,1H3/q+1