[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [(6-morpholinopyridin-1-ium-3-yl)methylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [(6-morpholinopyridin-1-ium-3-yl)methylamino]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C16H18N4O2S/c21-15(13-2-1-5-17-16(13)23)19-11-12-3-4-14(18-10-12)20-6-8-22-9-7-20/h1-5,10,19,21H,6-9,11H2