[(2S)-2-oxidanyl-3-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]propyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-[4-[2-(2-thienyl)acetyl]piperazino]propyl]ammonium Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C[NH3+])O)C(=O)CC2=CC=CS2

Isomeric SMILES

C1CN(CCN1C[C@H](C[NH3+])O)C(=O)CC2=CC=CS2

InChI

InChI=1S/C13H21N3O2S/c14-9-11(17)10-15-3-5-16(6-4-15)13(18)8-12-2-1-7-19-12/h1-2,7,11,17H,3-6,8-10,14H2/p+1/t11-/m0/s1