methyl 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C12H18ClN2O4S2+ MolecularWeight: 353.86532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C12H17ClN2O4S2/c1-19-11(16)4-5-14-6-8-15(9-7-14)21(17,18)12-3-2-10(13)20-12/h2-3H,4-9H2,1H3/p+1