[(1R)-1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]azanium

Systemtic Name: [(1R)-1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]azanium Openeye Name: [(1R)-3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]ammonium CAS Name: [(1R)-1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]ammonium IUPAC Name: [(1R)-1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]azanium Traditional Name: [(1R)-3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]ammonium Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-9(2)17-13(15)8-12(14)10-4-6-11(16-3)7-5-10/h4-7,9,12H,8,14H2,1-3H3/p+1/t12-/m1/s1