ethanedioic acid; 5-nitro-N-(3-piperidin-1-ylpropyl)pyridin-2-amine

Systemtic Name: ethanedioic acid; 5-nitro-N-(3-piperidin-1-ylpropyl)pyridin-2-amine Openeye Name: 5-nitro-N-[3-(1-piperidyl)propyl]pyridin-2-amine; oxalic acid CAS Name: 5-nitro-N-[3-(1-piperidinyl)propyl]-2-pyridinamine; oxalic acid IUPAC Name: 5-nitro-N-(3-piperidin-1-ylpropyl)pyridin-2-amine; oxalic acid Traditional Name: (5-nitro-2-pyridyl)-(3-piperidinopropyl)amine; oxalic acid Formula: C17H24N4O10 MolecularWeight: 444.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC2=NC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCNC2=NC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N4O2.2C2H2O4/c18-17(19)12-5-6-13(15-11-12)14-7-4-10-16-8-2-1-3-9-16;2*3-1(4)2(5)6/h5-6,11H,1-4,7-10H2,(H,14,15);2*(H,3,4)(H,5,6)