N-(5-chloranyl-2-phenoxy-phenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanamide bromide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanamide bromide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]acetamide bromide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)acetamide bromide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)acetamide bromide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]acetamide bromide Formula: C22H17BrClN3O2S MolecularWeight: 502.81128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4.[Br-]

InChI

InChI=1S/C22H16ClN3O2S.BrH/c23-16-8-9-20(28-17-5-2-1-3-6-17)19(13-16)25-22(27)14-26-11-10-18(24-15-26)21-7-4-12-29-21;/h1-13,15H,14H2;1H