ethanedioic acid; (4-methylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone

Systemtic Name: ethanedioic acid; (4-methylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[1-(2-thienylmethyl)-4-piperidyl]methanone; oxalic acid CAS Name: (4-methyl-1-piperazinyl)-[1-(thiophen-2-ylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: (4-methylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: (4-methylpiperazino)-[1-(2-thenyl)-4-piperidyl]methanone; oxalic acid Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3OS.C2H2O4/c1-17-8-10-19(11-9-17)16(20)14-4-6-18(7-5-14)13-15-3-2-12-21-15;3-1(4)2(5)6/h2-3,12,14H,4-11,13H2,1H3;(H,3,4)(H,5,6)