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

Systemtic Name: [(1S)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1-piperazin-4-iumyl)-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-ethyl]ammonium Formula: C13H21N3O+2 MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)13(17)12(14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3/p+2/t12-/m0/s1