2-[4-(3-oxidanylpropyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-(3-oxidanylpropyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(3-hydroxypropyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(3-hydroxypropyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(3-hydroxypropyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(3-hydroxypropyl)piperazin-4-ium-1-yl]benzoate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCO)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCO)C2=CC=CC=C2C(=O)[O-]

InChI

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