(1-methylpiperidin-1-ium-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate chloride CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C18H22ClNO3S MolecularWeight: 367.89018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S.ClH/c1-19-11-5-9-15(13-19)22-17(20)18(21,16-10-6-12-23-16)14-7-3-2-4-8-14;/h2-4,6-8,10,12,15,21H,5,9,11,13H2,1H3;1H