3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-(4-besylpiperazin-1-ium-1-yl)propionate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c16-13(17)6-7-14-8-10-15(11-9-14)20(18,19)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)