(3S)-N-(1,3-benzodioxol-5-yl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)quinuclidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C14H19N2O2+ MolecularWeight: 247.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C14H18N2O2/c1-2-13-14(18-9-17-13)7-11(1)15-12-8-16-5-3-10(12)4-6-16/h1-2,7,10,12,15H,3-6,8-9H2/p+1/t12-/m1/s1