8-thia-5-azoniaspiro[4.5]decan-3-yl 2-(3-methylphenyl)-2-oxidanyl-propanoate chloride

Systemtic Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-(3-methylphenyl)-2-oxidanyl-propanoate chloride Openeye Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(m-tolyl)propanoate chloride CAS Name: 2-hydroxy-2-(3-methylphenyl)propanoic 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-(3-methylphenyl)propanoate chloride Traditional Name: 2-hydroxy-2-(m-tolyl)propionic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester chloride Formula: C18H26ClNO3S MolecularWeight: 371.92194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(C(=O)OC2CC[N+]3(C2)CCSCC3)O.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)C(C)(C(=O)OC2CC[N+]3(C2)CCSCC3)O.[Cl-]

InChI

InChI=1S/C18H26NO3S.ClH/c1-14-4-3-5-15(12-14)18(2,21)17(20)22-16-6-7-19(13-16)8-10-23-11-9-19;/h3-5,12,16,21H,6-11,13H2,1-2H3;1H/q+1;/p-1