1-ethyl-1-thiophen-2-ylsulfonyl-piperidin-1-ium-3-carboxylate

Systemtic Name: 1-ethyl-1-thiophen-2-ylsulfonyl-piperidin-1-ium-3-carboxylate Openeye Name: 1-ethyl-1-(2-thienylsulfonyl)piperidin-1-ium-3-carboxylate CAS Name: 1-ethyl-1-thiophen-2-ylsulfonyl-3-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-1-thiophen-2-ylsulfonylpiperidin-1-ium-3-carboxylate Traditional Name: 1-ethyl-1-(2-thienylsulfonyl)piperidin-1-ium-3-carboxylate Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC(C1)C(=O)[O-])S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC[N+]1(CCCC(C1)C(=O)[O-])S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C12H17NO4S2/c1-2-13(7-3-5-10(9-13)12(14)15)19(16,17)11-6-4-8-18-11/h4,6,8,10H,2-3,5,7,9H2,1H3