(1-ethyl-4-oxidanyl-4-thiophen-2-yl-piperidin-1-ium-3-yl)-thiophen-2-yl-methanone chloride

Systemtic Name: (1-ethyl-4-oxidanyl-4-thiophen-2-yl-piperidin-1-ium-3-yl)-thiophen-2-yl-methanone chloride Openeye Name: [1-ethyl-4-hydroxy-4-(2-thienyl)piperidin-1-ium-3-yl]-(2-thienyl)methanone chloride CAS Name: (1-ethyl-4-hydroxy-4-thiophen-2-yl-3-piperidin-1-iumyl)-thiophen-2-ylmethanone chloride IUPAC Name: (1-ethyl-4-hydroxy-4-thiophen-2-ylpiperidin-1-ium-3-yl)-thiophen-2-ylmethanone chloride Traditional Name: [1-ethyl-4-hydroxy-4-(2-thienyl)piperidin-1-ium-3-yl]-(2-thienyl)methanone chloride Formula: C16H20ClNO2S2 MolecularWeight: 357.9185

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C(C1)C(=O)C2=CC=CS2)(C3=CC=CS3)O.[Cl-]

Isomeric SMILES

CC[NH+]1CCC(C(C1)C(=O)C2=CC=CS2)(C3=CC=CS3)O.[Cl-]

InChI

InChI=1S/C16H19NO2S2.ClH/c1-2-17-8-7-16(19,14-6-4-10-21-14)12(11-17)15(18)13-5-3-9-20-13;/h3-6,9-10,12,19H,2,7-8,11H2,1H3;1H