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

Systemtic Name: [(1R,2S)-1-(4-ethylphenyl)-1-oxidanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(R)-(4-ethylphenyl)-hydroxy-methyl]propyl]ammonium CAS Name: [(1R,2S)-1-(4-ethylphenyl)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-(4-ethylphenyl)-1-hydroxybutan-2-yl]azanium Traditional Name: [(1S)-1-[(R)-(4-ethylphenyl)-hydroxy-methyl]propyl]ammonium Formula: C12H20NO+ MolecularWeight: 194.2933

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(CC)[NH3+])O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]([C@H](CC)[NH3+])O

InChI

InChI=1S/C12H19NO/c1-3-9-5-7-10(8-6-9)12(14)11(13)4-2/h5-8,11-12,14H,3-4,13H2,1-2H3/p+1/t11-,12+/m0/s1