[(2S)-1-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-[2-(methylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-[2-(methylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[4-[2-keto-2-(methylamino)ethyl]piperazin-4-ium-1-yl]ethyl]ammonium Formula: C16H26N4O2+2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H24N4O2/c1-18-15(21)12-19-7-9-20(10-8-19)16(22)14(17)11-13-5-3-2-4-6-13/h2-6,14H,7-12,17H2,1H3,(H,18,21)/p+2/t14-/m0/s1