3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propionate Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(19,20)16-9-7-15(8-10-16)6-5-13(17)18/h1-4H,5-10H2,(H,17,18)