(5α,6α)-3,6-Dihydroxy-17,17-dimethyl-7,8-didehydro-4,5-epoxymorphinan-17-ium bromide

ChemSpider ID: 4515037
Molecular Formula: C₁₈H₂₂BrNO₃
Monoisotopic mass: 379.078308 Da
Systematic name

(5α,6α)-3,6-Dihydroxy-17,17-dimethyl-7,8-didehydro-4,5-epoxymorphinan-17-ium bromide
SMILES and InChIs

SMILES:

[Br-].O[C@H]4\C=C/[C@H]2[C@H]3Cc5c1c(O[C@@H]4[C@]12CC[N+]3(C)C)c(O)cc5 Copied

Std. InChI:

InChI=1S/C18H21NO3.BrH/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19;/h3-6,11-12,14,17,21H,7-9H2,1-2H3;1H/t11-,12+,14-,17-,18-;/m0./s1 Copied

Std. InChIKey:

KQUQZJSQMSHWHP-SCLAZZCHSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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