1-(5-bromanylthiophen-2-yl)sulfonyl-1-ethyl-piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-1-ethyl-piperidin-1-ium-2-carboxylate Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-1-ethyl-piperidin-1-ium-2-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-1-ethyl-2-piperidin-1-iumcarboxylate IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-1-ethylpiperidin-1-ium-2-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-1-ethyl-piperidin-1-ium-2-carboxylate Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1C(=O)[O-])S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC[N+]1(CCCCC1C(=O)[O-])S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H16BrNO4S2/c1-2-14(8-4-3-5-9(14)12(15)16)20(17,18)11-7-6-10(13)19-11/h6-7,9H,2-5,8H2,1H3