methyl 4-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid methyl ester Formula: C20H24ClN2O5S+ MolecularWeight: 439.93296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN2O5S/c1-27-20(24)16-6-8-17(9-7-16)29(25,26)23-12-10-22(11-13-23)14-15-28-19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3/p+1