(3R)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isochroman-3-carboxamide Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H21N3O4/c24-19(17-11-15-3-1-2-4-16(15)20(25)27-17)22-13-14-5-6-18(21-12-14)23-7-9-26-10-8-23/h1-6,12,17H,7-11,13H2,(H,22,24)/p+1/t17-/m1/s1