2-[4-[phenyl-(phenylmethyl)amino]butyl]guanidine; sulfuric acid

Systemtic Name: 2-[4-[phenyl-(phenylmethyl)amino]butyl]guanidine; sulfuric acid Openeye Name: 2-[4-(N-benzylanilino)butyl]guanidine; sulfuric acid CAS Name: 2-[4-(N-(phenylmethyl)anilino)butyl]guanidine; sulfuric acid IUPAC Name: 2-[4-(N-benzylanilino)butyl]guanidine; sulfuric acid Traditional Name: 2-[4-(N-benzylanilino)butyl]guanidine; sulfuric acid Formula: C36H50N8O4S MolecularWeight: 690.8984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCN=C(N)N)C2=CC=CC=C2.C1=CC=C(C=C1)CN(CCCCN=C(N)N)C2=CC=CC=C2.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCN=C(N)N)C2=CC=CC=C2.C1=CC=C(C=C1)CN(CCCCN=C(N)N)C2=CC=CC=C2.OS(=O)(=O)O

InChI

InChI=1S/2C18H24N4.H2O4S/c2*19-18(20)21-13-7-8-14-22(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16;1-5(2,3)4/h2*1-6,9-12H,7-8,13-15H2,(H4,19,20,21);(H2,1,2,3,4)