4-bromanyl-2-[[4-[ethyl-(phenylmethyl)amino]piperidin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-[ethyl-(phenylmethyl)amino]piperidin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2-[[4-[benzyl(ethyl)amino]-1-piperidyl]methyl]-4-bromo-phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[ethyl-(phenylmethyl)amino]-1-piperidinyl]methyl]phenol; oxalic acid IUPAC Name: 2-[[4-[benzyl(ethyl)amino]piperidin-1-yl]methyl]-4-bromophenol; oxalic acid Traditional Name: 2-[[4-[benzyl(ethyl)amino]piperidino]methyl]-4-bromo-phenol; oxalic acid Formula: C23H29BrN2O5 MolecularWeight: 493.39076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27BrN2O.C2H2O4/c1-2-24(15-17-6-4-3-5-7-17)20-10-12-23(13-11-20)16-18-14-19(22)8-9-21(18)25;3-1(4)2(5)6/h3-9,14,20,25H,2,10-13,15-16H2,1H3;(H,3,4)(H,5,6)