ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(1H-indol-3-ylmethyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3OS.C2H2O4/c22-18(17-6-3-11-23-17)21-9-7-20(8-10-21)13-14-12-19-16-5-2-1-4-15(14)16;3-1(4)2(5)6/h1-6,11-12,19H,7-10,13H2;(H,3,4)(H,5,6)