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

Systemtic Name: (2S)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: (2S)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate CAS Name: (2S)-2-[4-(1-pyrrolidin-1-iumylmethyl)phenoxy]propanoate IUPAC Name: (2S)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: (2S)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propionate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)C[NH+]2CCCC2

InChI

InChI=1S/C14H19NO3/c1-11(14(16)17)18-13-6-4-12(5-7-13)10-15-8-2-3-9-15/h4-7,11H,2-3,8-10H2,1H3,(H,16,17)/t11-/m0/s1