tert-butyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O4S/c1-18(2,3)24-17(21)15-19-10-12-20(13-11-19)25(22,23)14-9-16-7-5-4-6-8-16/h4-9,14H,10-13,15H2,1-3H3/p+1/b14-9+