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

Systemtic Name: ethanedioic acid; [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1-naphthylmethyl)piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-(1-naphthalenylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-(naphthalen-1-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(1-naphthylmethyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20N2OS.C2H2O4/c23-20(19-9-4-14-24-19)22-12-10-21(11-13-22)15-17-7-3-6-16-5-1-2-8-18(16)17;3-1(4)2(5)6/h1-9,14H,10-13,15H2;(H,3,4)(H,5,6)