2-[3-(3-chloranyl-4-propoxy-phenyl)propyl]guanidine; sulfuric acid

Systemtic Name: 2-[3-(3-chloranyl-4-propoxy-phenyl)propyl]guanidine; sulfuric acid Openeye Name: 2-[3-(3-chloro-4-propoxy-phenyl)propyl]guanidine; sulfuric acid CAS Name: 2-[3-(3-chloro-4-propoxyphenyl)propyl]guanidine; sulfuric acid IUPAC Name: 2-[3-(3-chloro-4-propoxyphenyl)propyl]guanidine; sulfuric acid Traditional Name: 2-[3-(3-chloro-4-propoxy-phenyl)propyl]guanidine; sulfuric acid Formula: C13H22ClN3O5S MolecularWeight: 367.84888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCCN=C(N)N)Cl.OS(=O)(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCCN=C(N)N)Cl.OS(=O)(=O)O

InChI

InChI=1S/C13H20ClN3O.H2O4S/c1-2-8-18-12-6-5-10(9-11(12)14)4-3-7-17-13(15)16;1-5(2,3)4/h5-6,9H,2-4,7-8H2,1H3,(H4,15,16,17);(H2,1,2,3,4)