N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)thiazol-3-ium-2-amine bromide CAS Name: N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]-p-phenetyl-amine bromide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)OC)CC=C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)OC)CC=C.[Br-]

InChI

InChI=1S/C21H22N2O2S.BrH/c1-4-14-23-20(16-6-10-18(24-3)11-7-16)15-26-21(23)22-17-8-12-19(13-9-17)25-5-2;/h4,6-13,15H,1,5,14H2,2-3H3;1H