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

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-(4-tosylpiperazin-1-ium-1-yl)propionate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-12-2-4-13(5-3-12)21(19,20)16-10-8-15(9-11-16)7-6-14(17)18/h2-5H,6-11H2,1H3,(H,17,18)