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

Systemtic Name: 3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-dimethyl-(4-phenylmethoxyphenyl)azanium Openeye Name: (4-benzyloxyphenyl)-[3-(5-chloro-2-phenylsulfanyl-anilino)propyl]-dimethyl-ammonium CAS Name: 3-[5-chloro-2-(phenylthio)anilino]propyl-dimethyl-(4-phenylmethoxyphenyl)ammonium IUPAC Name: 3-(5-chloro-2-phenylsulfanylanilino)propyl-dimethyl-(4-phenylmethoxyphenyl)azanium Traditional Name: (4-benzoxyphenyl)-[3-[5-chloro-2-(phenylthio)anilino]propyl]-dimethyl-ammonium Formula: C30H32ClN2OS+ MolecularWeight: 504.10588

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H32ClN2OS/c1-33(2,26-15-17-27(18-16-26)34-23-24-10-5-3-6-11-24)21-9-20-32-29-22-25(31)14-19-30(29)35-28-12-7-4-8-13-28/h3-8,10-19,22,32H,9,20-21,23H2,1-2H3/q+1