ethanedioic acid; [4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[benzyl(phenethyl)amino]-1-piperidyl]-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; [4-[phenethyl-(phenylmethyl)amino]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[benzyl(phenethyl)amino]piperidin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-[benzyl(phenethyl)amino]piperidino]-(2-thienyl)methanone; oxalic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2OS.C2H2O4/c28-25(24-12-7-19-29-24)26-17-14-23(15-18-26)27(20-22-10-5-2-6-11-22)16-13-21-8-3-1-4-9-21;3-1(4)2(5)6/h1-12,19,23H,13-18,20H2;(H,3,4)(H,5,6)