2-[(E)-2-[(4-ethoxyphenyl)amino]prop-1-enyl]-4-methyl-3-phenyl-5H-1,3-thiazol-3-ium-4-ol bromide

Systemtic Name: 2-[(E)-2-[(4-ethoxyphenyl)amino]prop-1-enyl]-4-methyl-3-phenyl-5H-1,3-thiazol-3-ium-4-ol bromide Openeye Name: 2-[(E)-2-(4-ethoxyanilino)prop-1-enyl]-4-methyl-3-phenyl-5H-thiazol-3-ium-4-ol bromide CAS Name: 2-[(E)-2-(4-ethoxyanilino)prop-1-enyl]-4-methyl-3-phenyl-5H-thiazol-3-ium-4-ol bromide IUPAC Name: 2-[(E)-2-(4-ethoxyanilino)prop-1-enyl]-4-methyl-3-phenyl-5H-1,3-thiazol-3-ium-4-ol bromide Traditional Name: 4-methyl-3-phenyl-2-[(E)-2-(p-phenetidino)prop-1-enyl]-2-thiazolin-3-ium-4-ol bromide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=CC2=[N+](C(CS2)(C)O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N/C(=C/C2=[N+](C(CS2)(C)O)C3=CC=CC=C3)/C.[Br-]

InChI

InChI=1S/C21H24N2O2S.BrH/c1-4-25-19-12-10-17(11-13-19)22-16(2)14-20-23(21(3,24)15-26-20)18-8-6-5-7-9-18;/h5-14,24H,4,15H2,1-3H3;1H