ethanedioic acid; 1-[(3-nitrophenyl)methyl]-4-piperidin-1-yl-piperidine

Systemtic Name: ethanedioic acid; 1-[(3-nitrophenyl)methyl]-4-piperidin-1-yl-piperidine Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(1-piperidyl)piperidine; oxalic acid CAS Name: 1-[(3-nitrophenyl)methyl]-4-(1-piperidinyl)piperidine; oxalic acid IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-piperidin-1-ylpiperidine; oxalic acid Traditional Name: 1-(3-nitrobenzyl)-4-piperidino-piperidine; oxalic acid Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O2.C2H2O4/c21-20(22)17-6-4-5-15(13-17)14-18-11-7-16(8-12-18)19-9-2-1-3-10-19;3-1(4)2(5)6/h4-6,13,16H,1-3,7-12,14H2;(H,3,4)(H,5,6)