1-[2-(2-aminophenyl)-3,5-dimethyl-1,3-thiazol-3-ium-4-yl]-2-(4-hexadecoxyphenoxy)ethanone bromide

Systemtic Name: 1-[2-(2-aminophenyl)-3,5-dimethyl-1,3-thiazol-3-ium-4-yl]-2-(4-hexadecoxyphenoxy)ethanone bromide Openeye Name: 1-[2-(2-aminophenyl)-3,5-dimethyl-thiazol-3-ium-4-yl]-2-(4-hexadecoxyphenoxy)ethanone bromide CAS Name: 1-[2-(2-aminophenyl)-3,5-dimethyl-4-thiazol-3-iumyl]-2-(4-hexadecoxyphenoxy)ethanone bromide IUPAC Name: 1-[2-(2-aminophenyl)-3,5-dimethyl-1,3-thiazol-3-ium-4-yl]-2-(4-hexadecoxyphenoxy)ethanone bromide Traditional Name: 1-[2-(2-aminophenyl)-3,5-dimethyl-thiazol-3-ium-4-yl]-2-(4-cetyloxyphenoxy)ethanone bromide Formula: C35H51BrN2O3S MolecularWeight: 659.76004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)C2=C(SC(=[N+]2C)C3=CC=CC=C3N)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)C2=C(SC(=[N+]2C)C3=CC=CC=C3N)C.[Br-]

InChI

InChI=1S/C35H50N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-39-29-22-24-30(25-23-29)40-27-33(38)34-28(2)41-35(37(34)3)31-20-17-18-21-32(31)36;/h17-18,20-25,36H,4-16,19,26-27H2,1-3H3;1H