methanesulfonate; 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: methanesulfonate; 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: methanesulfonate; 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester; methanesulfonate IUPAC Name: methanesulfonate; 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester mesylate Formula: C22H33NO6S2 MolecularWeight: 471.63052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCSCC4)O

Isomeric SMILES

CS(=O)(=O)[O-].C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCSCC4)O

InChI

InChI=1S/C21H30NO3S.CH4O3S/c23-20(25-19-10-11-22(16-19)12-14-26-15-13-22)21(24,18-8-4-5-9-18)17-6-2-1-3-7-17;1-5(2,3)4/h1-3,6-7,18-19,24H,4-5,8-16H2;1H3,(H,2,3,4)/q+1;/p-1