1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-4-yl-guanidine hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-4-yl-guanidine hydrochloride Openeye Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-piperidyl)guanidine hydrochloride CAS Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-piperidinyl)guanidine hydrochloride IUPAC Name: 1-(4-butoxyphenyl)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-4-ylguanidine hydrochloride Traditional Name: 1-(4-butoxyphenyl)-1-(4-tert-butylbenzyl)-2-(4-piperidyl)guanidine hydrochloride Formula: C27H41ClN4O MolecularWeight: 473.09364

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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(=NC3CCNCC3)N.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NC3CCNCC3)N.Cl

InChI

InChI=1S/C27H40N4O.ClH/c1-5-6-19-32-25-13-11-24(12-14-25)31(26(28)30-23-15-17-29-18-16-23)20-21-7-9-22(10-8-21)27(2,3)4;/h7-14,23,29H,5-6,15-20H2,1-4H3,(H2,28,30);1H