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

Systemtic Name: (3R)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]butanoate Openeye Name: (3R)-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]butanoate CAS Name: (3R)-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]butanoate IUPAC Name: (3R)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]butanoate Traditional Name: (3R)-3-(4-tosylpiperazin-1-ium-1-yl)butyrate Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-12-3-5-14(6-4-12)22(20,21)17-9-7-16(8-10-17)13(2)11-15(18)19/h3-6,13H,7-11H2,1-2H3,(H,18,19)/t13-/m1/s1