1-(4-butoxyphenyl)-1,2-bis[(4-tert-butylphenyl)methyl]guanidine hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)-1,2-bis[(4-tert-butylphenyl)methyl]guanidine hydrochloride Openeye Name: 1-(4-butoxyphenyl)-1,2-bis[(4-tert-butylphenyl)methyl]guanidine hydrochloride CAS Name: 1-(4-butoxyphenyl)-1,2-bis[(4-tert-butylphenyl)methyl]guanidine hydrochloride IUPAC Name: 1-(4-butoxyphenyl)-1,2-bis[(4-tert-butylphenyl)methyl]guanidine hydrochloride Traditional Name: 1-(4-butoxyphenyl)-1,2-bis(4-tert-butylbenzyl)guanidine hydrochloride Formula: C33H46ClN3O MolecularWeight: 536.19084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NCC3=CC=C(C=C3)C(C)(C)C)N.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NCC3=CC=C(C=C3)C(C)(C)C)N.Cl

InChI

InChI=1S/C33H45N3O.ClH/c1-8-9-22-37-30-20-18-29(19-21-30)36(24-26-12-16-28(17-13-26)33(5,6)7)31(34)35-23-25-10-14-27(15-11-25)32(2,3)4;/h10-21H,8-9,22-24H2,1-7H3,(H2,34,35);1H