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

Systemtic Name: [(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-phenylpiperazino)propyl]ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O/c14-10-13(17)11-15-6-8-16(9-7-15)12-4-2-1-3-5-12/h1-5,13,17H,6-11,14H2/p+1/t13-/m0/s1