1-[3-(2-chloranylphenoxy)propyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[3-(2-chloranylphenoxy)propyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[3-(2-chlorophenoxy)propyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[3-(2-chlorophenoxy)propyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[3-(2-chlorophenoxy)propyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[3-(2-chlorophenoxy)propyl]-4-tosyl-piperazin-1-ium Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=CC=C3Cl

InChI

InChI=1S/C20H25ClN2O3S/c1-17-7-9-18(10-8-17)27(24,25)23-14-12-22(13-15-23)11-4-16-26-20-6-3-2-5-19(20)21/h2-3,5-10H,4,11-16H2,1H3/p+1