ethanedioic acid; 1-[(3-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; 1-[(3-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-1-[(3-nitrophenyl)methyl]-N-phenethyl-piperidin-4-amine; oxalic acid CAS Name: 1-[(3-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-benzyl-1-[(3-nitrophenyl)methyl]-N-phenethylpiperidin-4-amine; oxalic acid Traditional Name: benzyl-[1-(3-nitrobenzyl)-4-piperidyl]-phenethyl-amine; oxalic acid Formula: C29H33N3O6 MolecularWeight: 519.58882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O2.C2H2O4/c31-30(32)27-13-7-12-25(20-27)21-28-17-15-26(16-18-28)29(22-24-10-5-2-6-11-24)19-14-23-8-3-1-4-9-23;3-1(4)2(5)6/h1-13,20,26H,14-19,21-22H2;(H,3,4)(H,5,6)