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

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]tetrahydropyran-4-carboxamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-4-oxanecarboxamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]tetrahydropyran-4-carboxamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1COCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2/c25-21(17-8-12-26-13-9-17)23-14-18-6-3-10-22-20(18)24-11-7-16-4-1-2-5-19(16)15-24/h1-6,10,17H,7-9,11-15H2,(H,23,25)/p+1