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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C(N)N(C)C2=CC=C(C=C2)OCC3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C(N)N(C)C2=CC=C(C=C2)OCC3=CC=CC=C3.CS(=O)(=O)O

InChI

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