ethanedioic acid; N-[(2-nitrophenyl)methyl]-1-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; N-[(2-nitrophenyl)methyl]-1-(phenylmethyl)piperidin-4-amine Openeye Name: 1-benzyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-[(2-nitrophenyl)methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-(2-nitrobenzyl)amine; oxalic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1NCC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O2.C2H2O4/c23-22(24)19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,18,20H,10-15H2;(H,3,4)(H,5,6)