ethanedioic acid; 1-methyl-4-(4-methyl-3-phenyl-phenyl)piperazine; hydrate

Systemtic Name: ethanedioic acid; 1-methyl-4-(4-methyl-3-phenyl-phenyl)piperazine; hydrate Openeye Name: 1-methyl-4-(4-methyl-3-phenyl-phenyl)piperazine; oxalic acid; hydrate CAS Name: 1-methyl-4-(4-methyl-3-phenylphenyl)piperazine; oxalic acid; hydrate IUPAC Name: 1-methyl-4-(4-methyl-3-phenylphenyl)piperazine; oxalic acid; hydrate Traditional Name: 1-methyl-4-(4-methyl-3-phenyl-phenyl)piperazine; oxalic acid; hydrate Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C)C3=CC=CC=C3.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C)C3=CC=CC=C3.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C18H22N2.C2H2O4.H2O/c1-15-8-9-17(20-12-10-19(2)11-13-20)14-18(15)16-6-4-3-5-7-16;3-1(4)2(5)6;/h3-9,14H,10-13H2,1-2H3;(H,3,4)(H,5,6);1H2