2-[3-[(2-bromophenyl)amino]-2-oxidanyl-propyl]guanidine; sulfuric acid

Systemtic Name: 2-[3-[(2-bromophenyl)amino]-2-oxidanyl-propyl]guanidine; sulfuric acid Openeye Name: 2-[3-(2-bromoanilino)-2-hydroxy-propyl]guanidine; sulfuric acid CAS Name: 2-[3-(2-bromoanilino)-2-hydroxypropyl]guanidine; sulfuric acid IUPAC Name: 2-[3-(2-bromoanilino)-2-hydroxypropyl]guanidine; sulfuric acid Traditional Name: 2-[3-(2-bromoanilino)-2-hydroxy-propyl]guanidine; sulfuric acid Formula: C20H32Br2N8O6S MolecularWeight: 672.39108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC(CN=C(N)N)O)Br.C1=CC=C(C(=C1)NCC(CN=C(N)N)O)Br.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NCC(CN=C(N)N)O)Br.C1=CC=C(C(=C1)NCC(CN=C(N)N)O)Br.OS(=O)(=O)O

InChI

InChI=1S/2C10H15BrN4O.H2O4S/c2*11-8-3-1-2-4-9(8)14-5-7(16)6-15-10(12)13;1-5(2,3)4/h2*1-4,7,14,16H,5-6H2,(H4,12,13,15);(H2,1,2,3,4)