[5-(2-ethoxyethyl)-4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]-phenyl-methanol bromide

Systemtic Name: [5-(2-ethoxyethyl)-4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]-phenyl-methanol bromide Openeye Name: [3-benzyl-5-(2-ethoxyethyl)-4-methyl-thiazol-3-ium-2-yl]-phenyl-methanol bromide CAS Name: [5-(2-ethoxyethyl)-4-methyl-3-(phenylmethyl)-2-thiazol-3-iumyl]-phenylmethanol bromide IUPAC Name: [3-benzyl-5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-phenylmethanol bromide Traditional Name: [3-benzyl-5-(2-ethoxyethyl)-4-methyl-thiazol-3-ium-2-yl]-phenyl-methanol bromide Formula: C22H26BrNO2S MolecularWeight: 450.40165

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=C([N+](=C(S1)C(C2=CC=CC=C2)O)CC3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCOCCC1=C([N+](=[13C](S1)[13CH](C2=CC=CC=C2)O)CC3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C22H26NO2S.BrH/c1-3-25-15-14-20-17(2)23(16-18-10-6-4-7-11-18)22(26-20)21(24)19-12-8-5-9-13-19;/h4-13,21,24H,3,14-16H2,1-2H3;1H/q+1;/p-1/i21+1,22+1;