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

Systemtic Name: (3S)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-phenyl-isochroman-6-carboxamide Formula: C26H26N3O4+ MolecularWeight: 444.50234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4/c30-25(28-17-18-6-9-24(27-16-18)29-10-12-32-13-11-29)20-7-8-22-21(14-20)15-23(33-26(22)31)19-4-2-1-3-5-19/h1-9,14,16,23H,10-13,15,17H2,(H,28,30)/p+1/t23-/m0/s1