1,4-dimethyl-2-[[(2-methylphenyl)-phenyl-methoxy]methyl]piperazine; ethanedioic acid; hydrate

Systemtic Name: 1,4-dimethyl-2-[[(2-methylphenyl)-phenyl-methoxy]methyl]piperazine; ethanedioic acid; hydrate Openeye Name: 1,4-dimethyl-2-[[o-tolyl(phenyl)methoxy]methyl]piperazine; oxalic acid; hydrate CAS Name: 1,4-dimethyl-2-[[(2-methylphenyl)-phenylmethoxy]methyl]piperazine; oxalic acid; hydrate IUPAC Name: 1,4-dimethyl-2-[[(2-methylphenyl)-phenylmethoxy]methyl]piperazine; oxalic acid; hydrate Traditional Name: 1,4-dimethyl-2-[[o-tolyl(phenyl)methoxy]methyl]piperazine; oxalic acid; hydrate Formula: C25H34N2O10 MolecularWeight: 522.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC3CN(CCN3C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC3CN(CCN3C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C21H28N2O.2C2H2O4.H2O/c1-17-9-7-8-12-20(17)21(18-10-5-4-6-11-18)24-16-19-15-22(2)13-14-23(19)3;2*3-1(4)2(5)6;/h4-12,19,21H,13-16H2,1-3H3;2*(H,3,4)(H,5,6);1H2