[(1S)-1-[2-(3-oxidanylidenepiperazin-1-yl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(3-oxidanylidenepiperazin-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(3-oxopiperazin-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(3-oxo-1-piperazinyl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(3-oxopiperazin-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(3-ketopiperazino)phenyl]ethyl]ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCNC(=O)C2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1N2CCNC(=O)C2)[NH3+]

InChI

InChI=1S/C12H17N3O/c1-9(13)10-4-2-3-5-11(10)15-7-6-14-12(16)8-15/h2-5,9H,6-8,13H2,1H3,(H,14,16)/p+1/t9-/m0/s1