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

Systemtic Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenyl-guanidine hydrochloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-2-phenyl-1-(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenylguanidine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-phenylguanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-2-phenyl-1-(4-sec-butylphenyl)guanidine hydrochloride Formula: C28H36ClN3 MolecularWeight: 450.05854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3.ClH/c1-6-21(2)23-14-18-26(19-15-23)31(27(29)30-25-10-8-7-9-11-25)20-22-12-16-24(17-13-22)28(3,4)5;/h7-19,21H,6,20H2,1-5H3,(H2,29,30);1H