(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl) 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl) 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid (6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl) ester Formula: C21H21ClN3OS2+ MolecularWeight: 430.99394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3OS2/c1-24-9-11-25(12-10-24)21(27)28-19-18(14-5-3-2-4-6-14)16-13-15(22)7-8-17(16)23-20(19)26/h2-8,13H,9-12H2,1H3,(H,23,26)/p+1