2-[3-tert-butyl-5-methoxy-2-oxidanyl-6-(pyridin-3-ylmethyl)phenyl]guanidine dihydrochloride

Systemtic Name: 2-[3-tert-butyl-5-methoxy-2-oxidanyl-6-(pyridin-3-ylmethyl)phenyl]guanidine dihydrochloride Openeye Name: 2-[3-tert-butyl-2-hydroxy-5-methoxy-6-(3-pyridylmethyl)phenyl]guanidine dihydrochloride CAS Name: 2-[3-tert-butyl-2-hydroxy-5-methoxy-6-(3-pyridinylmethyl)phenyl]guanidine dihydrochloride IUPAC Name: 2-[3-tert-butyl-2-hydroxy-5-methoxy-6-(pyridin-3-ylmethyl)phenyl]guanidine dihydrochloride Traditional Name: 2-[3-tert-butyl-2-hydroxy-5-methoxy-6-(3-pyridylmethyl)phenyl]guanidine dihydrochloride Formula: C18H26Cl2N4O2 MolecularWeight: 401.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1O)N=C(N)N)CC2=CN=CC=C2)OC.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1O)N=C(N)N)CC2=CN=CC=C2)OC.Cl.Cl

InChI

InChI=1S/C18H24N4O2.2ClH/c1-18(2,3)13-9-14(24-4)12(8-11-6-5-7-21-10-11)15(16(13)23)22-17(19)20;;/h5-7,9-10,23H,8H2,1-4H3,(H4,19,20,22);2*1H