2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine hydrobromide

Systemtic Name: 2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine hydrobromide Openeye Name: 1-(4-allyloxyphenyl)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)guanidine hydrobromide CAS Name: 2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine hydrobromide IUPAC Name: 2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine hydrobromide Traditional Name: 1-(4-allyloxyphenyl)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)guanidine hydrobromide Formula: C23H23BrClN3O2 MolecularWeight: 488.80462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OCC=C.Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OCC=C.Br

InChI

InChI=1S/C23H22ClN3O2.BrH/c1-3-16-29-22-14-10-20(11-15-22)27-23(25-18-6-4-17(24)5-7-18)26-19-8-12-21(28-2)13-9-19;/h3-15H,1,16H2,2H3,(H2,25,26,27);1H