2,6-ditert-butyl-4-[3-[3-(dimethylamino)propyl]-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[3-[3-(dimethylamino)propyl]-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]phenol Openeye Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]thiazol-3-ium-4-yl]-2,6-ditert-butyl-phenol CAS Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]-4-thiazol-3-iumyl]-2,6-ditert-butylphenol IUPAC Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]-1,3-thiazol-3-ium-4-yl]-2,6-ditert-butylphenol Traditional Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]thiazol-3-ium-4-yl]-2,6-ditert-butyl-phenol 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(=[N+]2CCCN(C)C)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[N+]2CCCN(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+1