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

Systemtic Name: ethanedioic acid; [4-(3-phenylpropyl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: oxalic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: oxalic acid; [4-(3-phenylpropyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: oxalic acid; [4-(3-phenylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: oxalic acid; [4-(3-phenylpropyl)piperazino]-(2-thienyl)methanone Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2OS.C2H2O4/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-3,5-7,9,15H,4,8,10-14H2;(H,3,4)(H,5,6)