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

Systemtic Name: methyl 2,4-diphenyl-1-(4-phenylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide Openeye Name: methyl 2,4-diphenyl-1-(4-phenylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide CAS Name: 2,4-diphenyl-1-(4-phenylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester iodide IUPAC Name: methyl 2,4-diphenyl-1-(4-phenylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide Traditional Name: 2,4-diphenyl-1-(4-phenylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester iodide Formula: C35H30INS2 MolecularWeight: 655.65387

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1CCCC2=C1[N+](=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

CSC(=S)C1CCCC2=C1[N+](=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C35H30NS2.HI/c1-38-35(37)31-19-11-18-30-32(27-14-7-3-8-15-27)24-33(28-16-9-4-10-17-28)36(34(30)31)29-22-20-26(21-23-29)25-12-5-2-6-13-25;/h2-10,12-17,20-24,31H,11,18-19H2,1H3;1H/q+1;/p-1