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

Systemtic Name: 2-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(2-ethylbutyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]benzoate Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCC(CC)C[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C17H26N2O2/c1-3-14(4-2)13-18-9-11-19(12-10-18)16-8-6-5-7-15(16)17(20)21/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21)