2,6-ditert-butyl-4-[2-[(4-methylphenyl)amino]-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl]phenol bromide

Systemtic Name: 2,6-ditert-butyl-4-[2-[(4-methylphenyl)amino]-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl]phenol bromide Openeye Name: 4-[3-allyl-2-(4-methylanilino)thiazol-3-ium-4-yl]-2,6-ditert-butyl-phenol bromide CAS Name: 2,6-ditert-butyl-4-[2-(4-methylanilino)-3-prop-2-enyl-4-thiazol-3-iumyl]phenol bromide IUPAC Name: 2,6-ditert-butyl-4-[2-(4-methylanilino)-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl]phenol bromide Traditional Name: 4-[3-allyl-2-(p-toluidino)thiazol-3-ium-4-yl]-2,6-ditert-butyl-phenol bromide Formula: C27H35BrN2OS MolecularWeight: 515.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC=C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC=C.[Br-]

InChI

InChI=1S/C27H34N2OS.BrH/c1-9-14-29-23(17-31-25(29)28-20-12-10-18(2)11-13-20)19-15-21(26(3,4)5)24(30)22(16-19)27(6,7)8;/h9-13,15-17,30H,1,14H2,2-8H3;1H