N-[(3-bromanyl-4-prop-2-enoxy-phenyl)methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-prop-2-enoxy-phenyl)methyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: N-[(4-allyloxy-3-bromo-phenyl)methyl]-1-benzyl-piperidin-4-amine; oxalic acid CAS Name: N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (4-allyloxy-3-bromo-benzyl)-(1-benzyl-4-piperidyl)amine; oxalic acid Formula: C24H29BrN2O5 MolecularWeight: 505.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O.C2H2O4/c1-2-14-26-22-9-8-19(15-21(22)23)16-24-20-10-12-25(13-11-20)17-18-6-4-3-5-7-18;3-1(4)2(5)6/h2-9,15,20,24H,1,10-14,16-17H2;(H,3,4)(H,5,6)