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

Systemtic Name: [(2S)-1-(4-butylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-butylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-butyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-butylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-butylpiperazino)-2-keto-ethyl]ammonium Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CCCCN1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H27N3O/c1-2-3-9-19-10-12-20(13-11-19)17(21)16(18)14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14,18H2,1H3/p+1/t16-/m0/s1