2-[[3-chloranyl-4-(2-methylpropoxy)phenyl]methyl]guanidine; sulfuric acid

Systemtic Name: 2-[[3-chloranyl-4-(2-methylpropoxy)phenyl]methyl]guanidine; sulfuric acid Openeye Name: 2-[(3-chloro-4-isobutoxy-phenyl)methyl]guanidine; sulfuric acid CAS Name: 2-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]guanidine; sulfuric acid IUPAC Name: 2-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]guanidine; sulfuric acid Traditional Name: 2-(3-chloro-4-isobutoxy-benzyl)guanidine; sulfuric acid Formula: C12H20ClN3O5S MolecularWeight: 353.8223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CN=C(N)N)Cl.OS(=O)(=O)O

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CN=C(N)N)Cl.OS(=O)(=O)O

InChI

InChI=1S/C12H18ClN3O.H2O4S/c1-8(2)7-17-11-4-3-9(5-10(11)13)6-16-12(14)15;1-5(2,3)4/h3-5,8H,6-7H2,1-2H3,(H4,14,15,16);(H2,1,2,3,4)