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

Systemtic Name: 1-[1-(2-aminophenyl)-1-ethyl-3,5-dimethyl-2-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-4-yl]ethanone bromide Openeye Name: 1-[1-(2-aminophenyl)-1-ethyl-3,5-dimethyl-2-(4-tetradecoxyphenyl)thiazol-3-ium-4-yl]ethanone bromide CAS Name: 1-[1-(2-aminophenyl)-1-ethyl-3,5-dimethyl-2-(4-tetradecoxyphenyl)-4-thiazol-3-iumyl]ethanone bromide IUPAC Name: 1-[1-(2-aminophenyl)-1-ethyl-3,5-dimethyl-2-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-4-yl]ethanone bromide Traditional Name: 1-[1-(2-aminophenyl)-1-ethyl-3,5-dimethyl-2-(4-myristyloxyphenyl)thiazol-3-ium-4-yl]ethanone bromide Formula: C35H53BrN2O2S MolecularWeight: 645.77652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N2O2S.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-20-27-39-31-25-23-30(24-26-31)35-37(5)34(28(3)38)29(4)40(35,7-2)33-22-19-18-21-32(33)36;/h18-19,21-26H,6-17,20,27,36H2,1-5H3;1H/q+1;/p-1