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

Systemtic Name: [2-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]oxyphenyl]methylazanium Openeye Name: [2-[(1S)-1-methyl-2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium CAS Name: [2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [2-[(1S)-2-keto-1-methyl-2-(propylamino)ethoxy]benzyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-3-8-15-13(16)10(2)17-12-7-5-4-6-11(12)9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1