1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-morpholin-4-yl-guanidine hydrochloride

Systemtic Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-morpholin-4-yl-guanidine hydrochloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-2-morpholino-1-(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-morpholinyl)guanidine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-morpholin-4-ylguanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-2-morpholino-1-(4-sec-butylphenyl)guanidine hydrochloride Formula: C26H39ClN4O MolecularWeight: 459.06706

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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(=NN3CCOCC3)N.Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)/C(=N\N3CCOCC3)/N.Cl

InChI

InChI=1S/C26H38N4O.ClH/c1-6-20(2)22-9-13-24(14-10-22)30(25(27)28-29-15-17-31-18-16-29)19-21-7-11-23(12-8-21)26(3,4)5;/h7-14,20H,6,15-19H2,1-5H3,(H2,27,28);1H