3-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 3-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 3-[2-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]ethyl]-1-oxido-pyridin-1-ium CAS Name: 3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]ethyl]-1-oxidopyridin-1-ium IUPAC Name: 3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-1-oxidopyridin-1-ium Traditional Name: 3-[2-[4-(2-bromo-5-methoxy-benzyl)piperidino]ethyl]-1-oxido-pyridin-1-ium Formula: C20H25BrN2O2 MolecularWeight: 405.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C20H25BrN2O2/c1-25-19-4-5-20(21)18(14-19)13-16-6-10-22(11-7-16)12-8-17-3-2-9-23(24)15-17/h2-5,9,14-16H,6-8,10-13H2,1H3