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

Systemtic Name: 1-[4-(2-aminophenyl)-2,3-dimethyl-3-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]ethanone bromide Openeye Name: 1-[4-(2-aminophenyl)-2,3-dimethyl-3-(4-tetradecoxyphenyl)thiazol-3-ium-2-yl]ethanone bromide CAS Name: 1-[4-(2-aminophenyl)-2,3-dimethyl-3-(4-tetradecoxyphenyl)-2-thiazol-3-iumyl]ethanone bromide IUPAC Name: 1-[4-(2-aminophenyl)-2,3-dimethyl-3-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]ethanone bromide Traditional Name: 1-[4-(2-aminophenyl)-2,3-dimethyl-3-(4-myristyloxyphenyl)-4-thiazolin-3-ium-2-yl]ethanone bromide Formula: C33H49BrN2O2S MolecularWeight: 617.72336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)[N+]2(C(=CSC2(C)C(=O)C)C3=CC=CC=C3N)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)[N+]2(C(=CSC2(C)C(=O)C)C3=CC=CC=C3N)C.[Br-]

InChI

InChI=1S/C33H49N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-37-29-23-21-28(22-24-29)35(4)32(26-38-33(35,3)27(2)36)30-19-16-17-20-31(30)34;/h16-17,19-24,26H,5-15,18,25,34H2,1-4H3;1H/q+1;/p-1