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

Systemtic Name: ethanedioic acid; [4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1-benzyl-4-piperidyl)piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; [4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(1-benzyl-4-piperidyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3OS.C2H2O4/c25-21(20-7-4-16-26-20)24-14-12-23(13-15-24)19-8-10-22(11-9-19)17-18-5-2-1-3-6-18;3-1(4)2(5)6/h1-7,16,19H,8-15,17H2;(H,3,4)(H,5,6)