methyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C13H18BrN2O4S+ MolecularWeight: 378.26202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN2O4S/c1-20-13(17)10-15-6-8-16(9-7-15)21(18,19)12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3/p+1