[(1R)-3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)-1-phenyl-propyl]azanium

Systemtic Name: [(1R)-3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)-1-phenyl-propyl]azanium Openeye Name: [(1R)-3-oxo-3-(3-oxopiperazin-1-yl)-1-phenyl-propyl]ammonium CAS Name: [(1R)-3-oxo-3-(3-oxo-1-piperazinyl)-1-phenylpropyl]ammonium IUPAC Name: [(1R)-3-oxo-3-(3-oxopiperazin-1-yl)-1-phenylpropyl]azanium Traditional Name: [(1R)-3-keto-3-(3-ketopiperazino)-1-phenyl-propyl]ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)CC(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C[C@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H17N3O2/c14-11(10-4-2-1-3-5-10)8-13(18)16-7-6-15-12(17)9-16/h1-5,11H,6-9,14H2,(H,15,17)/p+1/t11-/m1/s1