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

Systemtic Name: [(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]azanium Openeye Name: [(2S)-3-(4-benzoylpiperazin-1-yl)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(4-benzoyl-1-piperazinyl)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(4-benzoylpiperazino)-2-hydroxy-propyl]ammonium Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c15-10-13(18)11-16-6-8-17(9-7-16)14(19)12-4-2-1-3-5-12/h1-5,13,18H,6-11,15H2/p+1/t13-/m0/s1