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

Systemtic Name: 3-(2-methylphenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[3-(2-methylphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[3-(2-methylphenoxy)propyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[3-(2-methylphenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[3-(2-methylphenoxy)propyl]ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC[NH2+]CC(C)O

Isomeric SMILES

CC1=CC=CC=C1OCCC[NH2+]C[C@H](C)O

InChI

InChI=1S/C13H21NO2/c1-11-6-3-4-7-13(11)16-9-5-8-14-10-12(2)15/h3-4,6-7,12,14-15H,5,8-10H2,1-2H3/p+1/t12-/m0/s1