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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)OCCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)OCCC(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c17-14(18)5-10-19-13-3-1-12(2-4-13)11-16-8-6-15-7-9-16/h1-4,15H,5-11H2,(H,17,18)