N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C22H30N4O2+2 MolecularWeight: 382.4992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+](CCC1O)CC(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N4O2/c27-20-8-11-25(12-9-20)16-21(28)24-14-18-6-3-10-23-22(18)26-13-7-17-4-1-2-5-19(17)15-26/h1-6,10,20,27H,7-9,11-16H2,(H,24,28)/p+2