tert-butyl 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetic acid tert-butyl ester Formula: C19H31N2O4S+ MolecularWeight: 383.52544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)21-9-7-20(8-10-21)13-17(22)25-19(4,5)6/h11-12H,7-10,13H2,1-6H3/p+1