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

Systemtic Name: [5-bromanyl-2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzyl]ammonium Formula: C14H22BrN2O2+ MolecularWeight: 330.24068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)C[NH3+]

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C)OC1=C(C=C(C=C1)Br)C[NH3+]

InChI

InChI=1S/C14H21BrN2O2/c1-4-9(2)17-14(18)10(3)19-13-6-5-12(15)7-11(13)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)/p+1/t9-,10-/m0/s1