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

Systemtic Name: (5E)-1-ethanoyl-5-[(6-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-1-acetyl-5-[[6-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-1-acetyl-5-[[6-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-1-acetyl-5-[(6-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-1-acetyl-5-[(6-methyl-2-piperidino-quinolin-1-ium-3-yl)methylene]-2-thioxo-4-imidazolidinone Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)C=C4C(=O)NC(=S)N4C(=O)C

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)/C=C/4\C(=O)NC(=S)N4C(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-13-6-7-17-15(10-13)11-16(19(22-17)24-8-4-3-5-9-24)12-18-20(27)23-21(28)25(18)14(2)26/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,28)/p+1/b18-12+