methyl 1-(5-chloranyl-2-methyl-phenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate bromide

Systemtic Name: methyl 1-(5-chloranyl-2-methyl-phenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate bromide Openeye Name: methyl 1-(5-chloro-2-methyl-phenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate bromide CAS Name: 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester bromide IUPAC Name: methyl 1-(5-chloro-2-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate bromide Traditional Name: 1-(5-chloro-2-methyl-phenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester bromide Formula: C30H27BrClNS2 MolecularWeight: 581.02908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H27ClNS2.BrH/c1-20-16-17-23(31)18-27(20)32-28(22-12-7-4-8-13-22)19-26(21-10-5-3-6-11-21)24-14-9-15-25(29(24)32)30(33)34-2;/h3-8,10-13,16-19,25H,9,14-15H2,1-2H3;1H/q+1;/p-1