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

Systemtic Name: 1-[5-(2-aminophenyl)-2-ethyl-3,4-dimethyl-2-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-3-yl]ethanone iodide Openeye Name: 1-[5-(2-aminophenyl)-2-ethyl-3,4-dimethyl-2-(4-tetradecoxyphenyl)thiazol-3-ium-3-yl]ethanone iodide CAS Name: 1-[5-(2-aminophenyl)-2-ethyl-3,4-dimethyl-2-(4-tetradecoxyphenyl)-3-thiazol-3-iumyl]ethanone iodide IUPAC Name: 1-[5-(2-aminophenyl)-2-ethyl-3,4-dimethyl-2-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-3-yl]ethanone iodide Traditional Name: 1-[5-(2-aminophenyl)-2-ethyl-3,4-dimethyl-2-(4-myristyloxyphenyl)-4-thiazolin-3-ium-3-yl]ethanone iodide Formula: C35H53IN2O2S MolecularWeight: 692.77699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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