2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-morpholin-4-yl-cyclobutane-1,3-dione

Systemtic Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-morpholin-4-yl-cyclobutane-1,3-dione Openeye Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-morpholino-cyclobutane-1,3-dione CAS Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-(4-morpholinyl)cyclobutane-1,3-dione IUPAC Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-morpholin-4-ylcyclobutane-1,3-dione Traditional Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-morpholino-cyclobutane-1,3-quinone Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C(=O)C(C3=O)N4CCOCC4

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=C3C(=O)C(C3=O)N4CCOCC4

InChI

InChI=1S/C18H19N2O3S/c1-2-20-13-5-3-4-6-14(13)24-15(20)11-12-17(21)16(18(12)22)19-7-9-23-10-8-19/h3-6,11,16H,2,7-10H2,1H3/q+1