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3alpha-Tigloyloxytropane N-oxide

PropertiesImage
MNX_IDMNXM117645 Image of MNXM117645
referencechebi:173730
formulaC13H21NO3
global charge0
mol weight239.315
InChIKeyVNARLHBYSZUQEN-RUDMXATFSA-N
InChIInChI=1S/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+
SMILESC/C=C(\C)C(=O)OC1CC2CCC(C1)[N+]2(C)[O-]
MNX internals
InChI (mnx)InChI=1/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+/t10?,11?,12?,14? Image of MNXM117645
SMILES (mnx)[CH3:1]/[CH:4]=[C:9](\[CH3:2])[C:13](=[O:15])[O:17][CH:12]1[CH2:7][CH:10]2[CH2:5][CH2:6][CH:11]([CH2:8]1)[N+:14]2([CH3:3])[O-:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173730
chebi:173730
VNARLHBYSZUQEN-RUDMXATFSA-N 		3alpha-Tigloyloxytropane N-oxide
(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-methylbut-2-enoate
hmdb:HMDB0033454
VNARLHBYSZUQEN-RUDMXATFSA-N 		3alpha-Tigloyloxytropane N-oxide
3a-Tigloyloxytropane N-oxide
3alpha-tigloyloxytropane N-oxide
8-Methyl-8-oxo-8lambda⁵-azabicyclo[3.2.1]octan-3-yl (2E)-2-methylbut-2-enoic acid
8-methyl-8-oxo-8lambda⁵-azabicyclo[3.2.1]octan-3-yl (2E)-2-methylbut-2-enoate

hmdb:HMDB33454 		secondary/obsolete/fantasy identifier