2-(2-chloranyl-3,6-dimethyl-phenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 2-(2-chloranyl-3,6-dimethyl-phenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 2-(2-chloro-3,6-dimethyl-phenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: 2-(2-chloro-3,6-dimethylphenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 2-(2-chloro-3,6-dimethylphenoxy)ethyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: 2-(2-chloro-3,6-dimethyl-phenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium Formula: C13H21ClNO2+ MolecularWeight: 258.76434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)Cl)OCC[NH2+]CC(C)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)Cl)OCC[NH2+]C[C@H](C)O

InChI

InChI=1S/C13H20ClNO2/c1-9-4-5-10(2)13(12(9)14)17-7-6-15-8-11(3)16/h4-5,11,15-16H,6-8H2,1-3H3/p+1/t11-/m0/s1