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

Systemtic Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methyl-3-phenyl-guanidine hydrochloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-methyl-3-phenyl-1-(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methyl-3-phenylguanidine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methyl-3-phenylguanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-3-methyl-3-phenyl-1-(4-sec-butylphenyl)guanidine hydrochloride Formula: C29H38ClN3 MolecularWeight: 464.08512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3.ClH/c1-7-22(2)24-15-19-27(20-16-24)32(28(30)31(6)26-11-9-8-10-12-26)21-23-13-17-25(18-14-23)29(3,4)5;/h8-20,22,30H,7,21H2,1-6H3;1H