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

Systemtic Name: 3-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-anilino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-anilino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-anilino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-anilino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C28H41N3OS+2 MolecularWeight: 467.70964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[N+]2CCC[NH+](C)C)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[N+]2CCC[NH+](C)C)NC3=CC=CC=C3

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+2