1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2R)-butan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2R)-butan-2-yl]piperazin-4-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(1R)-1-methylpropyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2R)-butan-2-yl]piperazin-4-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2R)-butan-2-yl]piperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[(1R)-1-methylpropyl]piperazin-4-ium Formula: C16H26BrN2O+ MolecularWeight: 342.29444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC[C@@H](C)[NH+]1CCN(CC1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H25BrN2O/c1-4-13(2)19-9-7-18(8-10-19)12-14-11-15(17)5-6-16(14)20-3/h5-6,11,13H,4,7-10,12H2,1-3H3/p+1/t13-/m1/s1