[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]methyl-dimethyl-azanium

Systemtic Name: [5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]methyl-dimethyl-azanium Openeye Name: [2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]methyl-dimethyl-ammonium CAS Name: [5-[(2S)-butan-2-yl]-2-hydroxyphenyl]methyl-dimethylammonium IUPAC Name: [5-[(2S)-butan-2-yl]-2-hydroxyphenyl]methyl-dimethylazanium Traditional Name: [2-hydroxy-5-[(1S)-1-methylpropyl]benzyl]-dimethyl-ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)C[NH+](C)C

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)C[NH+](C)C

InChI

InChI=1S/C13H21NO/c1-5-10(2)11-6-7-13(15)12(8-11)9-14(3)4/h6-8,10,15H,5,9H2,1-4H3/p+1/t10-/m0/s1