[(2S)-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CC(C[NH3+])O

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C[C@H](C[NH3+])O

InChI

InChI=1S/C14H23N3O/c1-16-7-8-17(10-13(18)9-15)14(11-16)12-5-3-2-4-6-12/h2-6,13-14,18H,7-11,15H2,1H3/p+2/t13-,14+/m0/s1