ethanedioic acid; 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; oxalic acid CAS Name: 2-[4-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-[1-(3-nitrobenzyl)-4-piperidyl]piperazino]ethanol; oxalic acid Formula: C20H30N4O7 MolecularWeight: 438.4748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CCO)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CCO)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N4O3.C2H2O4/c23-13-12-19-8-10-21(11-9-19)17-4-6-20(7-5-17)15-16-2-1-3-18(14-16)22(24)25;3-1(4)2(5)6/h1-3,14,17,23H,4-13,15H2;(H,3,4)(H,5,6)