[5-bromanyl-2-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C16H23BrN2O2/c1-11(16(20)19-14-5-3-2-4-6-14)21-15-8-7-13(17)9-12(15)10-18/h7-9,11,14H,2-6,10,18H2,1H3,(H,19,20)/p+1/t11-/m0/s1