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

Systemtic Name: [(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [(6-pyrrolidinopyridin-1-ium-3-yl)methylamino]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C16H18N4OS/c21-15(13-4-3-7-17-16(13)22)19-11-12-5-6-14(18-10-12)20-8-1-2-9-20/h3-7,10,19,21H,1-2,8-9,11H2