3-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenylimino-thiazol-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylimino-3-thiazolyl]propyl-dimethylammonium IUPAC Name: 3-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenylimino-4-thiazolin-3-yl]propyl-dimethyl-ammonium Formula: C28H40N3OS+ MolecularWeight: 466.7017

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CCC[NH+](C)C

InChI

InChI=1S/C28H39N3OS/c1-27(2,3)22-17-20(18-23(25(22)32)28(4,5)6)24-19-33-26(29-21-13-10-9-11-14-21)31(24)16-12-15-30(7)8/h9-11,13-14,17-19,32H,12,15-16H2,1-8H3/p+1