1,2-bis(4-butoxyphenyl)guanidine hydrobromide

Systemtic Name: 1,2-bis(4-butoxyphenyl)guanidine hydrobromide Openeye Name: 1,2-bis(4-butoxyphenyl)guanidine hydrobromide CAS Name: 1,2-bis(4-butoxyphenyl)guanidine hydrobromide IUPAC Name: 1,2-bis(4-butoxyphenyl)guanidine hydrobromide Traditional Name: 1,2-bis(4-butoxyphenyl)guanidine hydrobromide Formula: C21H30BrN3O2 MolecularWeight: 436.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCCC)N.Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCCC)N.Br

InChI

InChI=1S/C21H29N3O2.BrH/c1-3-5-15-25-19-11-7-17(8-12-19)23-21(22)24-18-9-13-20(14-10-18)26-16-6-4-2;/h7-14H,3-6,15-16H2,1-2H3,(H3,22,23,24);1H