(3S)-N-(quinolin-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-(quinolin-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-(2-quinolylmethyl)quinuclidin-1-ium-3-amine CAS Name: (3S)-N-(2-quinolinylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-(quinolin-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: 2-quinolylmethyl-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C17H22N3+ MolecularWeight: 268.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C17H21N3/c1-2-4-16-13(3-1)5-6-15(19-16)11-18-17-12-20-9-7-14(17)8-10-20/h1-6,14,17-18H,7-12H2/p+1/t17-/m1/s1