1-ethyl-1-(5-methylthiophen-2-yl)sulfonyl-piperidin-1-ium-4-carboxylate

Systemtic Name: 1-ethyl-1-(5-methylthiophen-2-yl)sulfonyl-piperidin-1-ium-4-carboxylate Openeye Name: 1-ethyl-1-[(5-methyl-2-thienyl)sulfonyl]piperidin-1-ium-4-carboxylate CAS Name: 1-ethyl-1-[(5-methyl-2-thiophenyl)sulfonyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-1-ium-4-carboxylate Traditional Name: 1-ethyl-1-[(5-methyl-2-thienyl)sulfonyl]piperidin-1-ium-4-carboxylate Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C(=O)[O-])S(=O)(=O)C2=CC=C(S2)C

Isomeric SMILES

CC[N+]1(CCC(CC1)C(=O)[O-])S(=O)(=O)C2=CC=C(S2)C

InChI

InChI=1S/C13H19NO4S2/c1-3-14(8-6-11(7-9-14)13(15)16)20(17,18)12-5-4-10(2)19-12/h4-5,11H,3,6-9H2,1-2H3