[(1S)-1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]azanium

Systemtic Name: [(1S)-1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]azanium Openeye Name: [(1S)-3-isopropoxy-3-oxo-1-(p-tolyl)propyl]ammonium CAS Name: [(1S)-1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]ammonium IUPAC Name: [(1S)-1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]azanium Traditional Name: [(1S)-3-isopropoxy-3-keto-1-(p-tolyl)propyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC(C)C)[NH3+]

InChI

InChI=1S/C13H19NO2/c1-9(2)16-13(15)8-12(14)11-6-4-10(3)5-7-11/h4-7,9,12H,8,14H2,1-3H3/p+1/t12-/m0/s1