azanium [3,7-dimethyl-8-[2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Systemtic Name: azanium [3,7-dimethyl-8-[2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Openeye Name: ammonium [8-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS Name: ammonium 2,2-dimethylbutanoic acid [8-[2-(4-hydroxy-6-oxo-2-oxanyl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: azanium [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Traditional Name: ammonium 2,2-dimethylbutyric acid [8-[2-(4-hydroxy-6-keto-tetrahydropyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C25H42NO5+ MolecularWeight: 436.60468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C.[NH4+]

Isomeric SMILES

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C.[NH4+]

InChI

InChI=1S/C25H38O5.H3N/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;1H3/p+1