MD4

(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane


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Chemical Component Summary

Name(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane
Identifiers(1R,5S)-8,8-dimethyl-3-(4-pyridin-4-yl-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane
FormulaC16 H22 N5
Molecular Weight284.379
TypeNON-POLYMER
Isomeric SMILESC[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C
InChIInChI=1S/C16H22N5/c1-21(2)14-3-4-15(21)10-13(9-14)20-11-16(18-19-20)12-5-7-17-8-6-12/h5-8,11,13-15H,3-4,9-10H2,1-2H3/q+1/t13-,14-,15+
InChIKeyIRDLJZVYUZKXLE-QKDCVEJESA-N

Chemical Details

Formal Charge1
Atom Count43
Chiral Atom Count2
Bond Count46
Aromatic Bond Count11