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

Systemtic Name: ethanedioic acid; N-methyl-3-[1-(phenylmethyl)piperidin-4-yl]oxy-propan-1-amine Openeye Name: 3-[(1-benzyl-4-piperidyl)oxy]-N-methyl-propan-1-amine; oxalic acid CAS Name: N-methyl-3-[[1-(phenylmethyl)-4-piperidinyl]oxy]-1-propanamine; oxalic acid IUPAC Name: 3-(1-benzylpiperidin-4-yl)oxy-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-[(1-benzyl-4-piperidyl)oxy]propyl-methyl-amine; oxalic acid Formula: C20H30N2O9 MolecularWeight: 442.4602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCOC1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCOC1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O.2C2H2O4/c1-17-10-5-13-19-16-8-11-18(12-9-16)14-15-6-3-2-4-7-15;2*3-1(4)2(5)6/h2-4,6-7,16-17H,5,8-14H2,1H3;2*(H,3,4)(H,5,6)