ethanedioic acid; N-ethyl-1-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; N-ethyl-1-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-ethyl-1-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-ethyl-1-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-N-ethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-N-ethyl-1-[(3-methyl-2-thienyl)methyl]isonipecotamide; oxalic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=C(C=CS3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=C(C=CS3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2OS.C2H2O4/c1-3-23(15-18-7-5-4-6-8-18)21(24)19-9-12-22(13-10-19)16-20-17(2)11-14-25-20;3-1(4)2(5)6/h4-8,11,14,19H,3,9-10,12-13,15-16H2,1-2H3;(H,3,4)(H,5,6)