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

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride CAS Name: 2-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazino]-1-(3,4,5-trimethoxyphenyl)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)OC)OC)OC.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4.2ClH/c1-26(2,3)21-9-7-19(8-10-21)17-27-11-13-28(14-12-27)18-22(29)20-15-23(30-4)25(32-6)24(16-20)31-5;;/h7-10,15-16H,11-14,17-18H2,1-6H3;2*1H