methyl 3-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propionic acid methyl ester Formula: C14H19Cl2N2O4S+ MolecularWeight: 382.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O4S/c1-22-14(19)4-5-17-6-8-18(9-7-17)23(20,21)13-10-11(15)2-3-12(13)16/h2-3,10H,4-9H2,1H3/p+1