[2-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [2-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Openeye Name: [2-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]phenyl]methylammonium CAS Name: [2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [2-[(1S)-2-(amylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)OC1=CC=CC=C1C[NH3+]

Isomeric SMILES

CCCCCNC(=O)[C@H](C)OC1=CC=CC=C1C[NH3+]

InChI

InChI=1S/C15H24N2O2/c1-3-4-7-10-17-15(18)12(2)19-14-9-6-5-8-13(14)11-16/h5-6,8-9,12H,3-4,7,10-11,16H2,1-2H3,(H,17,18)/p+1/t12-/m0/s1