[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2S)-2-hydroxypropyl]ammonium Formula: C13H22NO3+ MolecularWeight: 240.31868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH2+]CC(C)O)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH2+]C[C@H](C)O)O

InChI

InChI=1S/C13H21NO3/c1-10-5-3-4-6-13(10)17-9-12(16)8-14-7-11(2)15/h3-6,11-12,14-16H,7-9H2,1-2H3/p+1/t11-,12-/m0/s1