methyl-[(1R,2R)-1-(4-oxidanylidenepentanoyloxy)-1-phenyl-propan-2-yl]azanium

Systemtic Name: methyl-[(1R,2R)-1-(4-oxidanylidenepentanoyloxy)-1-phenyl-propan-2-yl]azanium Openeye Name: methyl-[(1R,2R)-1-methyl-2-(4-oxopentanoyloxy)-2-phenyl-ethyl]ammonium CAS Name: [(1R,2R)-1-(1,4-dioxopentoxy)-1-phenylpropan-2-yl]-methylammonium IUPAC Name: methyl-[(1R,2R)-1-(4-oxopentanoyloxy)-1-phenylpropan-2-yl]azanium Traditional Name: [(1R,2R)-2-(4-ketopentanoyloxy)-1-methyl-2-phenyl-ethyl]-methyl-ammonium Formula: C15H22NO3+ MolecularWeight: 264.34008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-11(17)9-10-14(18)19-15(12(2)16-3)13-7-5-4-6-8-13/h4-8,12,15-16H,9-10H2,1-3H3/p+1/t12-,15+/m1/s1