(4-tert-butylphenyl)-[3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl]-dimethyl-azanium

Systemtic Name: (4-tert-butylphenyl)-[3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl]-dimethyl-azanium Openeye Name: (4-tert-butylphenyl)-[3-(5-chloro-2-phenylsulfanyl-anilino)propyl]-dimethyl-ammonium CAS Name: (4-tert-butylphenyl)-[3-[5-chloro-2-(phenylthio)anilino]propyl]-dimethylammonium IUPAC Name: (4-tert-butylphenyl)-[3-(5-chloro-2-phenylsulfanylanilino)propyl]-dimethylazanium Traditional Name: (4-tert-butylphenyl)-[3-[5-chloro-2-(phenylthio)anilino]propyl]-dimethyl-ammonium Formula: C27H34ClN2S+ MolecularWeight: 454.09026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[N+](C)(C)CCCNC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[N+](C)(C)CCCNC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C27H34ClN2S/c1-27(2,3)21-12-15-23(16-13-21)30(4,5)19-9-18-29-25-20-22(28)14-17-26(25)31-24-10-7-6-8-11-24/h6-8,10-17,20,29H,9,18-19H2,1-5H3/q+1