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

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: 1-benzyl-N-[(4-chloro-3-nitro-phenyl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-[(4-chloro-3-nitrophenyl)methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(4-chloro-3-nitrophenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-(4-chloro-3-nitro-benzyl)amine; oxalic acid Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O2.C2H2O4/c20-18-7-6-16(12-19(18)23(24)25)13-21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-7,12,17,21H,8-11,13-14H2;(H,3,4)(H,5,6)