N-tert-butyl-2-(4-methylphenoxy)-4-phenyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine chloride

Systemtic Name: N-tert-butyl-2-(4-methylphenoxy)-4-phenyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine chloride Openeye Name: 3-(2-allylphenyl)-N-tert-butyl-2-(4-methylphenoxy)-4-phenyl-thiazol-3-ium-5-amine chloride CAS Name: N-tert-butyl-2-(4-methylphenoxy)-4-phenyl-3-(2-prop-2-enylphenyl)-5-thiazol-3-iumamine chloride IUPAC Name: N-tert-butyl-2-(4-methylphenoxy)-4-phenyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine chloride Traditional Name: [3-(2-allylphenyl)-2-(4-methylphenoxy)-4-phenyl-thiazol-3-ium-5-yl]-tert-butyl-amine chloride Formula: C29H31ClN2OS MolecularWeight: 491.08724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=[N+](C(=C(S2)NC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4CC=C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=[N+](C(=C(S2)NC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4CC=C.[Cl-]

InChI

InChI=1S/C29H31N2OS.ClH/c1-6-12-22-13-10-11-16-25(22)31-26(23-14-8-7-9-15-23)27(30-29(3,4)5)33-28(31)32-24-19-17-21(2)18-20-24;/h6-11,13-20,30H,1,12H2,2-5H3;1H/q+1;/p-1