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

Systemtic Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-propylpiperidin-1-yl)guanidine hydrochloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-2-(4-propyl-1-piperidyl)-1-(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-propyl-1-piperidinyl)guanidine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-propylpiperidin-1-yl)guanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-2-(4-propylpiperidino)-1-(4-sec-butylphenyl)guanidine hydrochloride Formula: C30H47ClN4 MolecularWeight: 499.17398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)N=C(N)N(CC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)CC.Cl

Isomeric SMILES

CCCC1CCN(CC1)/N=C(/N)\N(CC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)CC.Cl

InChI

InChI=1S/C30H46N4.ClH/c1-7-9-24-18-20-33(21-19-24)32-29(31)34(28-16-12-26(13-17-28)23(3)8-2)22-25-10-14-27(15-11-25)30(4,5)6;/h10-17,23-24H,7-9,18-22H2,1-6H3,(H2,31,32);1H