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

Systemtic Name: 2-(4-tert-butylphenyl)-1-[3-(phenylmethoxymethyl)phenyl]guanidine; methanesulfonic acid Openeye Name: 1-[3-(benzyloxymethyl)phenyl]-2-(4-tert-butylphenyl)guanidine; methanesulfonic acid CAS Name: 2-(4-tert-butylphenyl)-1-[3-(phenylmethoxymethyl)phenyl]guanidine; methanesulfonic acid IUPAC Name: 2-(4-tert-butylphenyl)-1-[3-(phenylmethoxymethyl)phenyl]guanidine; methanesulfonic acid Traditional Name: 1-[3-(benzoxymethyl)phenyl]-2-(4-tert-butylphenyl)guanidine; mesylic acid Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N=C(N)NC2=CC=CC(=C2)COCC3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N=C(N)NC2=CC=CC(=C2)COCC3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C25H29N3O.CH4O3S/c1-25(2,3)21-12-14-22(15-13-21)27-24(26)28-23-11-7-10-20(16-23)18-29-17-19-8-5-4-6-9-19;1-5(2,3)4/h4-16H,17-18H2,1-3H3,(H3,26,27,28);1H3,(H,2,3,4)