1-(4-butan-2-ylphenyl)-3-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methyl]-1-methyl-guanidine hydrochloride

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methyl]-1-methyl-guanidine hydrochloride Openeye Name: 1-(4-tert-butylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methyl-3-(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)-3-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methyl]-1-methylguanidine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)-3-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methyl]-1-methylguanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-1-(4-tert-butylphenyl)-3-methyl-3-(4-sec-butylphenyl)guanidine hydrochloride Formula: C33H46ClN3 MolecularWeight: 520.19144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N3.ClH/c1-10-24(2)26-13-19-29(20-14-26)35(9)31(34)36(30-21-17-28(18-22-30)33(6,7)8)23-25-11-15-27(16-12-25)32(3,4)5;/h11-22,24,34H,10,23H2,1-9H3;1H