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

Systemtic Name: [(2S)-butan-2-yl]-[(2S)-3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2S)-3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2S)-3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium Formula: C14H23ClNO2+ MolecularWeight: 272.79092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(COC1=C(C=CC(=C1)C)Cl)O

Isomeric SMILES

CC[C@H](C)[NH2+]C[C@@H](COC1=C(C=CC(=C1)C)Cl)O

InChI

InChI=1S/C14H22ClNO2/c1-4-11(3)16-8-12(17)9-18-14-7-10(2)5-6-13(14)15/h5-7,11-12,16-17H,4,8-9H2,1-3H3/p+1/t11-,12-/m0/s1