methyl 1-(4-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide

Systemtic Name: methyl 1-(4-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide Openeye Name: methyl 2,4-diphenyl-1-(p-tolyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide CAS Name: 1-(4-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester iodide IUPAC Name: methyl 1-(4-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide Traditional Name: 2,4-diphenyl-1-(p-tolyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester iodide Formula: C30H28INS2 MolecularWeight: 593.58449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(C3=C2C(CCC3)C(=S)SC)C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(C3=C2C(CCC3)C(=S)SC)C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H28NS2.HI/c1-21-16-18-24(19-17-21)31-28(23-12-7-4-8-13-23)20-27(22-10-5-3-6-11-22)25-14-9-15-26(29(25)31)30(32)33-2;/h3-8,10-13,16-20,26H,9,14-15H2,1-2H3;1H/q+1;/p-1