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

Systemtic Name: ethanedioic acid; N-ethyl-N-(phenylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine Openeye Name: N-benzyl-N-ethyl-1-(4-pyridylmethyl)piperidin-4-amine; oxalic acid CAS Name: N-ethyl-N-(phenylmethyl)-1-(pyridin-4-ylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-benzyl-N-ethyl-1-(pyridin-4-ylmethyl)piperidin-4-amine; oxalic acid Traditional Name: benzyl-ethyl-[1-(4-pyridylmethyl)-4-piperidyl]amine; oxalic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3.C2H2O4/c1-2-23(17-18-6-4-3-5-7-18)20-10-14-22(15-11-20)16-19-8-12-21-13-9-19;3-1(4)2(5)6/h3-9,12-13,20H,2,10-11,14-17H2,1H3;(H,3,4)(H,5,6)