2-[3,4-dimethyl-5-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]aniline bromide

Systemtic Name: 2-[3,4-dimethyl-5-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]aniline bromide Openeye Name: 2-[3,4-dimethyl-5-(4-tetradecoxyphenyl)thiazol-3-ium-2-yl]aniline bromide CAS Name: 2-[3,4-dimethyl-5-(4-tetradecoxyphenyl)-2-thiazol-3-iumyl]aniline bromide IUPAC Name: 2-[3,4-dimethyl-5-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]aniline bromide Traditional Name: [2-[3,4-dimethyl-5-(4-myristyloxyphenyl)thiazol-3-ium-2-yl]phenyl]amine bromide Formula: C31H45BrN2OS MolecularWeight: 573.6708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C([N+](=C(S2)C3=CC=CC=C3N)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C([N+](=C(S2)C3=CC=CC=C3N)C)C.[Br-]

InChI

InChI=1S/C31H44N2OS.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-34-27-22-20-26(21-23-27)30-25(2)33(3)31(35-30)28-18-15-16-19-29(28)32;/h15-16,18-23,32H,4-14,17,24H2,1-3H3;1H