[(2S)-butan-2-yl]-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]azanium Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-hydroxy-3,5-dimethylphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium Traditional Name: (4-hydroxy-3,5-dimethyl-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO/c1-5-11(4)14-8-12-6-9(2)13(15)10(3)7-12/h6-7,11,14-15H,5,8H2,1-4H3/p+1/t11-/m0/s1