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

Systemtic Name: ethanedioic acid; 1-[(5-nitrothiophen-2-yl)methyl]piperidin-4-ol Openeye Name: 1-[(5-nitro-2-thienyl)methyl]piperidin-4-ol; oxalic acid CAS Name: 1-[(5-nitro-2-thiophenyl)methyl]-4-piperidinol; oxalic acid IUPAC Name: 1-[(5-nitrothiophen-2-yl)methyl]piperidin-4-ol; oxalic acid Traditional Name: 1-[(5-nitro-2-thienyl)methyl]piperidin-4-ol; oxalic acid Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC2=CC=C(S2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1O)CC2=CC=C(S2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C10H14N2O3S.C2H2O4/c13-8-3-5-11(6-4-8)7-9-1-2-10(16-9)12(14)15;3-1(4)2(5)6/h1-2,8,13H,3-7H2;(H,3,4)(H,5,6)