[(2S)-3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium

Systemtic Name: [(2S)-3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2S)-3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C14H23ClNO2+ MolecularWeight: 272.79092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClNO2/c1-10(2)7-16-8-12(17)9-18-14-6-11(3)4-5-13(14)15/h4-6,10,12,16-17H,7-9H2,1-3H3/p+1/t12-/m0/s1