3-[(5-chloranyl-2-naphthalen-2-ylsulfanyl-phenyl)amino]propyl-[(3,4-dichlorophenyl)methyl]-dimethyl-azanium

Systemtic Name: 3-[(5-chloranyl-2-naphthalen-2-ylsulfanyl-phenyl)amino]propyl-[(3,4-dichlorophenyl)methyl]-dimethyl-azanium Openeye Name: 3-[5-chloro-2-(2-naphthylsulfanyl)anilino]propyl-[(3,4-dichlorophenyl)methyl]-dimethyl-ammonium CAS Name: 3-[5-chloro-2-(2-naphthalenylthio)anilino]propyl-[(3,4-dichlorophenyl)methyl]-dimethylammonium IUPAC Name: 3-(5-chloro-2-naphthalen-2-ylsulfanylanilino)propyl-[(3,4-dichlorophenyl)methyl]-dimethylazanium Traditional Name: 3-[5-chloro-2-(2-naphthylthio)anilino]propyl-(3,4-dichlorobenzyl)-dimethyl-ammonium Formula: C28H28Cl3N2S+ MolecularWeight: 530.95932

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC3=CC=CC=C3C=C2)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC3=CC=CC=C3C=C2)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H28Cl3N2S/c1-33(2,19-20-8-12-25(30)26(31)16-20)15-5-14-32-27-18-23(29)10-13-28(27)34-24-11-9-21-6-3-4-7-22(21)17-24/h3-4,6-13,16-18,32H,5,14-15,19H2,1-2H3/q+1