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

Systemtic Name: [4-(2-adamantyl)piperazin-1-yl]-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: [4-(2-adamantyl)piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-(2-adamantyl)-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-(2-adamantyl)piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(2-adamantyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CS5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CS5.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N2OS.C2H2O4/c22-19(17-2-1-7-23-17)21-5-3-20(4-6-21)18-15-9-13-8-14(11-15)12-16(18)10-13;3-1(4)2(5)6/h1-2,7,13-16,18H,3-6,8-12H2;(H,3,4)(H,5,6)