[(1S)-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: [(1S)-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-(4-formylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-(4-formyl-1-piperazinyl)-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-(4-formylpiperazin-1-yl)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-(4-formylpiperazino)-2-keto-1-phenyl-ethyl]ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)C(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CN(CCN1C=O)C(=O)[C@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H17N3O2/c14-12(11-4-2-1-3-5-11)13(18)16-8-6-15(10-17)7-9-16/h1-5,10,12H,6-9,14H2/p+1/t12-/m0/s1