1-(4-tert-butylphenyl)-1-methyl-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid

Systemtic Name: 1-(4-tert-butylphenyl)-1-methyl-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid Openeye Name: 2-(4-benzyloxyphenyl)-1-(4-tert-butylphenyl)-1-methyl-guanidine; methanesulfonic acid CAS Name: 1-(4-tert-butylphenyl)-1-methyl-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid IUPAC Name: 1-(4-tert-butylphenyl)-1-methyl-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid Traditional Name: 2-(4-benzoxyphenyl)-1-(4-tert-butylphenyl)-1-methyl-guanidine; mesylic acid Formula: C26H33N3O4S MolecularWeight: 483.62292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C)C(=NC2=CC=C(C=C2)OCC3=CC=CC=C3)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C)C(=NC2=CC=C(C=C2)OCC3=CC=CC=C3)N.CS(=O)(=O)O

InChI

InChI=1S/C25H29N3O.CH4O3S/c1-25(2,3)20-10-14-22(15-11-20)28(4)24(26)27-21-12-16-23(17-13-21)29-18-19-8-6-5-7-9-19;1-5(2,3)4/h5-17H,18H2,1-4H3,(H2,26,27);1H3,(H,2,3,4)