3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperidine; ethanedioic acid

Systemtic Name: 3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperidine; ethanedioic acid Openeye Name: 3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]-4-piperidyl]piperidine; oxalic acid CAS Name: 3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]-4-piperidinyl]piperidine; oxalic acid IUPAC Name: 3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperidine; oxalic acid Traditional Name: 3,5-dimethyl-1-[1-(2-nitrobenzyl)-4-piperidyl]piperidine; oxalic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)C2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O2.C2H2O4/c1-15-11-16(2)13-21(12-15)18-7-9-20(10-8-18)14-17-5-3-4-6-19(17)22(23)24;3-1(4)2(5)6/h3-6,15-16,18H,7-14H2,1-2H3;(H,3,4)(H,5,6)