4-(4-piperazin-4-ium-1-ylphenoxy)butanoate

Systemtic Name: 4-(4-piperazin-4-ium-1-ylphenoxy)butanoate Openeye Name: 4-(4-piperazin-4-ium-1-ylphenoxy)butanoate CAS Name: 4-[4-(1-piperazin-4-iumyl)phenoxy]butanoate IUPAC Name: 4-(4-piperazin-4-ium-1-ylphenoxy)butanoate Traditional Name: 4-(4-piperazin-4-ium-1-ylphenoxy)butyrate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c17-14(18)2-1-11-19-13-5-3-12(4-6-13)16-9-7-15-8-10-16/h3-6,15H,1-2,7-11H2,(H,17,18)