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

Systemtic Name: ethanedioic acid; 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine Openeye Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-methyl-4-[1-(3-nitrobenzyl)-4-piperidyl]piperazine; oxalic acid Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N4O2.C2H2O4/c1-18-9-11-20(12-10-18)16-5-7-19(8-6-16)14-15-3-2-4-17(13-15)21(22)23;3-1(4)2(5)6/h2-4,13,16H,5-12,14H2,1H3;(H,3,4)(H,5,6)