ethanedioic acid; 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]piperazine Openeye Name: 1-methyl-4-[(5-nitro-2-thienyl)methyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[(5-nitro-2-thiophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]piperazine; oxalic acid Traditional Name: 1-methyl-4-[(5-nitro-2-thienyl)methyl]piperazine; oxalic acid Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(S2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(S2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C10H15N3O2S.C2H2O4/c1-11-4-6-12(7-5-11)8-9-2-3-10(16-9)13(14)15;3-1(4)2(5)6/h2-3H,4-8H2,1H3;(H,3,4)(H,5,6)