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

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-2-17-8-10-18(11-9-17)15(19)14(16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12,16H2,1H3/p+2/t14-/m0/s1