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

Systemtic Name: [5-bromanyl-2-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [2-[(1S)-2-(amylamino)-2-keto-1-methyl-ethoxy]-5-bromo-benzyl]ammonium Formula: C15H24BrN2O2+ MolecularWeight: 344.26726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O2/c1-3-4-5-8-18-15(19)11(2)20-14-7-6-13(16)9-12(14)10-17/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)/p+1/t11-/m0/s1