5-azoniaspiro[4.4]nonan-8-yl 2-butyl-2-oxidanyl-hexanoate chloride

Systemtic Name: 5-azoniaspiro[4.4]nonan-8-yl 2-butyl-2-oxidanyl-hexanoate chloride Openeye Name: 5-azoniaspiro[4.4]nonan-8-yl 2-butyl-2-hydroxy-hexanoate chloride CAS Name: 2-butyl-2-hydroxyhexanoic acid 5-azoniaspiro[4.4]nonan-8-yl ester chloride IUPAC Name: 5-azoniaspiro[4.4]nonan-8-yl 2-butyl-2-hydroxyhexanoate chloride Traditional Name: 2-butyl-2-hydroxy-hexanoic acid 5-azoniaspiro[4.4]nonan-8-yl ester chloride Formula: C18H34ClNO3 MolecularWeight: 347.92046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)OC1CC[N+]2(C1)CCCC2)O.[Cl-]

Isomeric SMILES

CCCCC(CCCC)(C(=O)OC1CC[N+]2(C1)CCCC2)O.[Cl-]

InChI

InChI=1S/C18H34NO3.ClH/c1-3-5-10-18(21,11-6-4-2)17(20)22-16-9-14-19(15-16)12-7-8-13-19;/h16,21H,3-15H2,1-2H3;1H/q+1;/p-1