1-ethyl-1-thiophen-2-ylsulfonyl-piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-ethyl-1-thiophen-2-ylsulfonyl-piperidin-1-ium-4-carboxylic acid Openeye Name: 1-ethyl-1-(2-thienylsulfonyl)piperidin-1-ium-4-carboxylic acid CAS Name: 1-ethyl-1-thiophen-2-ylsulfonyl-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-1-thiophen-2-ylsulfonylpiperidin-1-ium-4-carboxylic acid Traditional Name: 1-ethyl-1-(2-thienylsulfonyl)piperidin-1-ium-4-carboxylic acid Formula: C12H18NO4S2+ MolecularWeight: 304.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C(=O)O)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC[N+]1(CCC(CC1)C(=O)O)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C12H17NO4S2/c1-2-13(7-5-10(6-8-13)12(14)15)19(16,17)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3/p+1