1-(2,3-dimethylphenyl)-4-(pyridin-2-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(pyridin-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-(2,3-dimethylphenyl)-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(2,3-dimethylphenyl)-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(2,3-dimethylphenyl)-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2,3-dimethylphenyl)-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC=CC=N3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC=CC=N3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3.C2H2O4/c1-15-6-5-8-18(16(15)2)21-12-10-20(11-13-21)14-17-7-3-4-9-19-17;3-1(4)2(5)6/h3-9H,10-14H2,1-2H3;(H,3,4)(H,5,6)