(2S)-2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate

Systemtic Name: (2S)-2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: (2S)-2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate CAS Name: (2S)-2-[3-(1-piperazin-4-iumylmethyl)phenoxy]propanoate IUPAC Name: (2S)-2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: (2S)-2-[3-(piperazin-4-ium-1-ylmethyl)phenoxy]propionate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)CN2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=CC(=C1)CN2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O3/c1-11(14(17)18)19-13-4-2-3-12(9-13)10-16-7-5-15-6-8-16/h2-4,9,11,15H,5-8,10H2,1H3,(H,17,18)/t11-/m0/s1