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

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: 1-benzyl-N-[(3-bromo-4-fluoro-phenyl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-(3-bromo-4-fluoro-benzyl)amine; oxalic acid Formula: C21H24BrFN2O4 MolecularWeight: 467.328663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC(=C(C=C2)F)Br)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1NCC2=CC(=C(C=C2)F)Br)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22BrFN2.C2H2O4/c20-18-12-16(6-7-19(18)21)13-22-17-8-10-23(11-9-17)14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-7,12,17,22H,8-11,13-14H2;(H,3,4)(H,5,6)