6,7-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4)OC

InChI

InChI=1S/C22H28N4O4/c1-28-19-12-16-5-7-26(15-18(16)13-20(19)29-2)22(27)24-14-17-4-3-6-23-21(17)25-8-10-30-11-9-25/h3-4,6,12-13H,5,7-11,14-15H2,1-2H3,(H,24,27)/p+1