2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone dihydrochloride

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone dihydrochloride Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone dihydrochloride CAS Name: 2-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone dihydrochloride IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone dihydrochloride Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazino]-1-(3,4,5-trimethylolphenyl)ethanone dihydrochloride Formula: C26H38Cl2N2O4 MolecularWeight: 513.49692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)C3=CC(=C(C(=C3)CO)CO)CO.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)C3=CC(=C(C(=C3)CO)CO)CO.Cl.Cl

InChI

InChI=1S/C26H36N2O4.2ClH/c1-26(2,3)23-6-4-19(5-7-23)14-27-8-10-28(11-9-27)15-25(32)20-12-21(16-29)24(18-31)22(13-20)17-30;;/h4-7,12-13,29-31H,8-11,14-18H2,1-3H3;2*1H