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

Systemtic Name: ethanedioic acid; 1-ethyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine Openeye Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[1-(3-nitrobenzyl)-4-piperidyl]piperazine; oxalic acid Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N4O2.C2H2O4/c1-2-19-10-12-21(13-11-19)17-6-8-20(9-7-17)15-16-4-3-5-18(14-16)22(23)24;3-1(4)2(5)6/h3-5,14,17H,2,6-13,15H2,1H3;(H,3,4)(H,5,6)