N-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: 1-benzyl-N-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-(5-bromo-2-propargyloxy-benzyl)amine; oxalic acid Formula: C24H27BrN2O5 MolecularWeight: 503.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)CNC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)CNC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25BrN2O.C2H2O4/c1-2-14-26-22-9-8-20(23)15-19(22)16-24-21-10-12-25(13-11-21)17-18-6-4-3-5-7-18;3-1(4)2(5)6/h1,3-9,15,21,24H,10-14,16-17H2;(H,3,4)(H,5,6)