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

Systemtic Name: ethanedioic acid; 4-methyl-1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperidine Openeye Name: 4-methyl-1-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperidine; oxalic acid CAS Name: 4-methyl-1-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]piperidine; oxalic acid IUPAC Name: 4-methyl-1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]piperidine; oxalic acid Traditional Name: 4-methyl-1-[1-(3-nitrobenzyl)-4-piperidyl]piperidine; oxalic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c1-15-5-11-20(12-6-15)17-7-9-19(10-8-17)14-16-3-2-4-18(13-16)21(22)23;3-1(4)2(5)6/h2-4,13,15,17H,5-12,14H2,1H3;(H,3,4)(H,5,6)