(5E)-1-ethanoyl-5-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-1-ethanoyl-5-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-1-acetyl-5-[[2-(1-piperidyl)quinolin-1-ium-3-yl]methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-1-acetyl-5-[[2-(1-piperidinyl)-3-quinolin-1-iumyl]methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-1-acetyl-5-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-1-acetyl-5-[(2-piperidinoquinolin-1-ium-3-yl)methylene]-2-thioxo-4-imidazolidinone Formula: C20H21N4O2S+ MolecularWeight: 381.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4)C(=O)NC1=S

Isomeric SMILES

CC(=O)N1/C(=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4)/C(=O)NC1=S

InChI

InChI=1S/C20H20N4O2S/c1-13(25)24-17(19(26)22-20(24)27)12-15-11-14-7-3-4-8-16(14)21-18(15)23-9-5-2-6-10-23/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,22,26,27)/p+1/b17-12+