6-morpholin-4-yl-2-[oxidanyl(pyrrolidin-1-yl)methylidene]-4-phenyl-thieno[2,3-b]pyridin-7-ium-3-one

Systemtic Name: 6-morpholin-4-yl-2-[oxidanyl(pyrrolidin-1-yl)methylidene]-4-phenyl-thieno[2,3-b]pyridin-7-ium-3-one Openeye Name: 2-[hydroxy(pyrrolidin-1-yl)methylene]-6-morpholino-4-phenyl-thieno[2,3-b]pyridin-7-ium-3-one CAS Name: 2-[hydroxy(1-pyrrolidinyl)methylidene]-6-(4-morpholinyl)-4-phenyl-3-thieno[2,3-b]pyridin-7-iumone IUPAC Name: 2-[hydroxy(pyrrolidin-1-yl)methylidene]-6-morpholin-4-yl-4-phenylthieno[2,3-b]pyridin-7-ium-3-one Traditional Name: 2-[hydroxy(pyrrolidino)methylene]-6-morpholino-4-phenyl-thieno[2,3-b]pyridin-7-ium-3-one Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=C2C(=O)C3=C(S2)[NH+]=C(C=C3C4=CC=CC=C4)N5CCOCC5)O

Isomeric SMILES

C1CCN(C1)C(=C2C(=O)C3=C(S2)[NH+]=C(C=C3C4=CC=CC=C4)N5CCOCC5)O

InChI

InChI=1S/C22H23N3O3S/c26-19-18-16(15-6-2-1-3-7-15)14-17(24-10-12-28-13-11-24)23-21(18)29-20(19)22(27)25-8-4-5-9-25/h1-3,6-7,14,27H,4-5,8-13H2/p+1