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

Systemtic Name: 1,3-bis(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methyl-guanidine hydrochloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-methyl-1,3-bis(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1,3-bis(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methylguanidine hydrochloride IUPAC Name: 1,3-bis(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-3-methylguanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-3-methyl-1,3-bis(4-sec-butylphenyl)guanidine hydrochloride Formula: C33H46ClN3 MolecularWeight: 520.19144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N3.ClH/c1-9-24(3)27-13-19-30(20-14-27)35(8)32(34)36(31-21-15-28(16-22-31)25(4)10-2)23-26-11-17-29(18-12-26)33(5,6)7;/h11-22,24-25,34H,9-10,23H2,1-8H3;1H