1-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-2-(pyridin-3-ylmethyl)guanidine dihydrochloride

Systemtic Name: 1-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-2-(pyridin-3-ylmethyl)guanidine dihydrochloride Openeye Name: 1-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-2-(3-pyridylmethyl)guanidine dihydrochloride CAS Name: 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(3-pyridinylmethyl)guanidine dihydrochloride IUPAC Name: 1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine dihydrochloride Traditional Name: 1-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-2-(3-pyridylmethyl)guanidine dihydrochloride Formula: C18H26Cl2N4O2 MolecularWeight: 401.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=NCC2=CN=CC=C2)N)OC.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=NCC2=CN=CC=C2)N)OC.Cl.Cl

InChI

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