1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenyl-guanidine hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenyl-guanidine hydrochloride Openeye Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenyl-guanidine hydrochloride CAS Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenylguanidine hydrochloride IUPAC Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenylguanidine hydrochloride Traditional Name: 1-(4-butoxyphenyl)-1-(4-tert-butylbenzyl)-2-phenyl-guanidine hydrochloride Formula: C28H36ClN3O MolecularWeight: 466.05794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NC3=CC=CC=C3)N.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C28H35N3O.ClH/c1-5-6-20-32-26-18-16-25(17-19-26)31(27(29)30-24-10-8-7-9-11-24)21-22-12-14-23(15-13-22)28(2,3)4;/h7-19H,5-6,20-21H2,1-4H3,(H2,29,30);1H