[6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

Systemtic Name: [6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(2-pyridylmethylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(2-pyridinylmethylamino)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(2-pyridylmethylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)piperidino]methanone Formula: C22H24N5O2+ MolecularWeight: 390.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CN=CC=C2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1OC2=CN=CC=C2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C22H23N5O2/c28-22(27-12-8-19(9-13-27)29-20-5-3-10-23-16-20)17-6-7-21(25-14-17)26-15-18-4-1-2-11-24-18/h1-7,10-11,14,16,19H,8-9,12-13,15H2,(H,25,26)/p+1