[(1R,2S)-1-oxidanyl-1-(4-propan-2-ylphenyl)butan-2-yl]azanium

Systemtic Name: [(1R,2S)-1-oxidanyl-1-(4-propan-2-ylphenyl)butan-2-yl]azanium Openeye Name: [(1S)-1-[(R)-hydroxy-(4-isopropylphenyl)methyl]propyl]ammonium CAS Name: [(1R,2S)-1-hydroxy-1-(4-propan-2-ylphenyl)butan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-hydroxy-1-(4-propan-2-ylphenyl)butan-2-yl]azanium Traditional Name: [(1S)-1-[(R)-hydroxy(p-cumenyl)methyl]propyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)C(C)C)O)[NH3+]

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC=C(C=C1)C(C)C)O)[NH3+]

InChI

InChI=1S/C13H21NO/c1-4-12(14)13(15)11-7-5-10(6-8-11)9(2)3/h5-9,12-13,15H,4,14H2,1-3H3/p+1/t12-,13+/m0/s1