N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

InChI=1S/C20H24N4O2/c25-20(24-8-6-17-3-1-2-4-18(17)15-24)22-14-16-5-7-21-19(13-16)23-9-11-26-12-10-23/h1-5,7,13H,6,8-12,14-15H2,(H,22,25)/p+1