N-[[4-(dimethylamino)-3-nitro-phenyl]methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: N-[[4-(dimethylamino)-3-nitro-phenyl]methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: 1-benzyl-N-[[4-(dimethylamino)-3-nitro-phenyl]methyl]piperidin-4-amine; oxalic acid CAS Name: N-[[4-(dimethylamino)-3-nitrophenyl]methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[[4-(dimethylamino)-3-nitrophenyl]methyl]piperidin-4-amine; oxalic acid Traditional Name: [4-[[(1-benzyl-4-piperidyl)amino]methyl]-2-nitro-phenyl]-dimethyl-amine; oxalic acid Formula: C23H30N4O6 MolecularWeight: 458.5075

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N4O2.C2H2O4/c1-23(2)20-9-8-18(14-21(20)25(26)27)15-22-19-10-12-24(13-11-19)16-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,14,19,22H,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)