1-(5-chloranylthiophen-2-yl)sulfonyl-1-ethyl-piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-1-ethyl-piperidin-1-ium-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-1-ethyl-piperidin-1-ium-4-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-1-ethyl-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-1-ethylpiperidin-1-ium-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-1-ethyl-piperidin-1-ium-4-carboxylic acid Formula: C12H17ClNO4S2+ MolecularWeight: 338.85068

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO4S2/c1-2-14(7-5-9(6-8-14)12(15)16)20(17,18)11-4-3-10(13)19-11/h3-4,9H,2,5-8H2,1H3/p+1