ethanedioic acid; N-phenethyl-N-(phenylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; N-phenethyl-N-(phenylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine Openeye Name: N-benzyl-N-phenethyl-1-(3-pyridylmethyl)piperidin-4-amine; oxalic acid CAS Name: oxalic acid; N-phenethyl-N-(phenylmethyl)-1-(3-pyridinylmethyl)-4-piperidinamine IUPAC Name: N-benzyl-N-phenethyl-1-(pyridin-3-ylmethyl)piperidin-4-amine; oxalic acid Traditional Name: benzyl-phenethyl-[1-(3-pyridylmethyl)-4-piperidyl]amine; oxalic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3.C2H2O4/c1-3-8-23(9-4-1)13-19-29(22-24-10-5-2-6-11-24)26-14-17-28(18-15-26)21-25-12-7-16-27-20-25;3-1(4)2(5)6/h1-12,16,20,26H,13-15,17-19,21-22H2;(H,3,4)(H,5,6)