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

Systemtic Name: ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N4O2.C2H2O4/c28-27(29)23-8-6-21(7-9-23)19-25-14-16-26(17-15-25)22-10-12-24(13-11-22)18-20-4-2-1-3-5-20;3-1(4)2(5)6/h1-9,22H,10-19H2;(H,3,4)(H,5,6)