(5E)-1-ethanoyl-5-[(6-methoxy-2-piperidin-1-yl-quinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-1-ethanoyl-5-[(6-methoxy-2-piperidin-1-yl-quinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-1-acetyl-5-[[6-methoxy-2-(1-piperidyl)quinolin-1-ium-3-yl]methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-1-acetyl-5-[[6-methoxy-2-(1-piperidinyl)-3-quinolin-1-iumyl]methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-1-acetyl-5-[(6-methoxy-2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-1-acetyl-5-[(6-methoxy-2-piperidino-quinolin-1-ium-3-yl)methylene]-2-thioxo-4-imidazolidinone Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC2=C([NH+]=C3C=CC(=CC3=C2)OC)N4CCCCC4)C(=O)NC1=S

Isomeric SMILES

CC(=O)N1/C(=C/C2=C([NH+]=C3C=CC(=CC3=C2)OC)N4CCCCC4)/C(=O)NC1=S

InChI

InChI=1S/C21H22N4O3S/c1-13(26)25-18(20(27)23-21(25)29)12-15-10-14-11-16(28-2)6-7-17(14)22-19(15)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,29)/p+1/b18-12+