2-(4-tert-butylphenyl)-1-[3-(1-phenylpentan-2-yl)phenyl]guanidine; methanesulfonic acid

Systemtic Name: 2-(4-tert-butylphenyl)-1-[3-(1-phenylpentan-2-yl)phenyl]guanidine; methanesulfonic acid Openeye Name: 1-[3-(1-benzylbutyl)phenyl]-2-(4-tert-butylphenyl)guanidine; methanesulfonic acid CAS Name: 2-(4-tert-butylphenyl)-1-[3-(1-phenylpentan-2-yl)phenyl]guanidine; methanesulfonic acid IUPAC Name: 2-(4-tert-butylphenyl)-1-[3-(1-phenylpentan-2-yl)phenyl]guanidine; methanesulfonic acid Traditional Name: 1-[3-(1-benzylbutyl)phenyl]-2-(4-tert-butylphenyl)guanidine; mesylic acid Formula: C29H39N3O3S MolecularWeight: 509.70326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C2=CC(=CC=C2)NC(=NC3=CC=C(C=C3)C(C)(C)C)N.CS(=O)(=O)O

Isomeric SMILES

CCCC(CC1=CC=CC=C1)C2=CC(=CC=C2)NC(=NC3=CC=C(C=C3)C(C)(C)C)N.CS(=O)(=O)O

InChI

InChI=1S/C28H35N3.CH4O3S/c1-5-10-22(19-21-11-7-6-8-12-21)23-13-9-14-26(20-23)31-27(29)30-25-17-15-24(16-18-25)28(2,3)4;1-5(2,3)4/h6-9,11-18,20,22H,5,10,19H2,1-4H3,(H3,29,30,31);1H3,(H,2,3,4)