ethanedioic acid; N-methyl-N-[3-[1-(phenylmethyl)piperidin-4-yl]oxypropyl]pentan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-N-[3-[1-(phenylmethyl)piperidin-4-yl]oxypropyl]pentan-1-amine Openeye Name: N-[3-[(1-benzyl-4-piperidyl)oxy]propyl]-N-methyl-pentan-1-amine; oxalic acid CAS Name: N-methyl-N-[3-[[1-(phenylmethyl)-4-piperidinyl]oxy]propyl]-1-pentanamine; oxalic acid IUPAC Name: N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-methylpentan-1-amine; oxalic acid Traditional Name: amyl-[3-[(1-benzyl-4-piperidyl)oxy]propyl]-methyl-amine; oxalic acid Formula: C25H40N2O9 MolecularWeight: 512.5931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)CCCOC1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCN(C)CCCOC1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H36N2O.2C2H2O4/c1-3-4-8-14-22(2)15-9-18-24-21-12-16-23(17-13-21)19-20-10-6-5-7-11-20;2*3-1(4)2(5)6/h5-7,10-11,21H,3-4,8-9,12-19H2,1-2H3;2*(H,3,4)(H,5,6)