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

Systemtic Name: 2-[[3-chloranyl-4-(3-methylbutoxy)phenyl]methyl]guanidine; sulfuric acid Openeye Name: 2-[(3-chloro-4-isopentyloxy-phenyl)methyl]guanidine; sulfuric acid CAS Name: 2-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]guanidine; sulfuric acid IUPAC Name: 2-[[3-chloro-4-(3-methylbutoxy)phenyl]methyl]guanidine; sulfuric acid Traditional Name: 2-(3-chloro-4-isoamoxy-benzyl)guanidine; sulfuric acid Formula: C13H22ClN3O5S MolecularWeight: 367.84888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CN=C(N)N)Cl.OS(=O)(=O)O

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CN=C(N)N)Cl.OS(=O)(=O)O

InChI

InChI=1S/C13H20ClN3O.H2O4S/c1-9(2)5-6-18-12-4-3-10(7-11(12)14)8-17-13(15)16;1-5(2,3)4/h3-4,7,9H,5-6,8H2,1-2H3,(H4,15,16,17);(H2,1,2,3,4)