[(2S)-2-oxidanyl-3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)propyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-nicotinoylpiperazino)propyl]ammonium Formula: C13H21N4O2+ MolecularWeight: 265.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C[NH3+])O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CN(CCN1C[C@H](C[NH3+])O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H20N4O2/c14-8-12(18)10-16-4-6-17(7-5-16)13(19)11-2-1-3-15-9-11/h1-3,9,12,18H,4-8,10,14H2/p+1/t12-/m0/s1