Chemical Component Summary

Namehuprine 19
FormulaC18 H21 Cl N3
Molecular Weight314.832
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+]
InChIInChI=1S/C18H20ClN3/c19-13-1-2-14-15(9-13)22-16-8-11-5-10(3-4-20)6-12(7-11)17(16)18(14)21/h1-2,6,9,11-12H,3-5,7-8,20H2,(H2,21,22)/p+1/t11-,12+/m1/s1
InChIKeyJBGUOIGXEREJEV-NEPJUHHUSA-O

Chemical Details

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

Related Resource References

Resource NameReference
PubChem 137349474