ethanedioic acid; 1-(phenylmethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)piperidin-4-amine Openeye Name: 1-benzyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]piperidin-4-amine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-4-piperidinamine IUPAC Name: 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-[2-pyrrolidino-2-(2-thienyl)ethyl]amine; oxalic acid Formula: C28H37N3O12S MolecularWeight: 639.67128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC2CCN(CC2)CC3=CC=CC=C3)C4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(CNC2CCN(CC2)CC3=CC=CC=C3)C4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31N3S.3C2H2O4/c1-2-7-19(8-3-1)18-24-14-10-20(11-15-24)23-17-21(22-9-6-16-26-22)25-12-4-5-13-25;3*3-1(4)2(5)6/h1-3,6-9,16,20-21,23H,4-5,10-15,17-18H2;3*(H,3,4)(H,5,6)