1-(4-hexylphenyl)-1-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-phenyl-guanidine hydrochloride

Systemtic Name: 1-(4-hexylphenyl)-1-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-phenyl-guanidine hydrochloride Openeye Name: 1-[[4-(1,1-dimethylbutyl)phenyl]methyl]-1-(4-hexylphenyl)-2-phenyl-guanidine hydrochloride CAS Name: 1-(4-hexylphenyl)-1-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-phenylguanidine hydrochloride IUPAC Name: 1-(4-hexylphenyl)-1-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-phenylguanidine hydrochloride Traditional Name: 1-[4-(1,1-dimethylbutyl)benzyl]-1-(4-hexylphenyl)-2-phenyl-guanidine hydrochloride Formula: C32H44ClN3 MolecularWeight: 506.16486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)CCC)C(=NC3=CC=CC=C3)N.Cl

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)CCC)C(=NC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C32H43N3.ClH/c1-5-7-8-10-13-26-18-22-30(23-19-26)35(31(33)34-29-14-11-9-12-15-29)25-27-16-20-28(21-17-27)32(3,4)24-6-2;/h9,11-12,14-23H,5-8,10,13,24-25H2,1-4H3,(H2,33,34);1H