8-thia-5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-thiophen-2-yl-propanoate chloride

Systemtic Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-thiophen-2-yl-propanoate chloride Openeye Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(2-thienyl)propanoate chloride CAS Name: 2-hydroxy-2-thiophen-2-ylpropanoic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester chloride IUPAC Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-thiophen-2-ylpropanoate chloride Traditional Name: 2-hydroxy-2-(2-thienyl)propionic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester chloride Formula: C15H22ClNO3S2 MolecularWeight: 363.92308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)(C(=O)OC2CC[N+]3(C2)CCSCC3)O.[Cl-]

Isomeric SMILES

CC(C1=CC=CS1)(C(=O)OC2CC[N+]3(C2)CCSCC3)O.[Cl-]

InChI

InChI=1S/C15H22NO3S2.ClH/c1-15(18,13-3-2-8-21-13)14(17)19-12-4-5-16(11-12)6-9-20-10-7-16;/h2-3,8,12,18H,4-7,9-11H2,1H3;1H/q+1;/p-1