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

Systemtic Name: 4-[4-(2,2-dimethoxyethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-(2,2-dimethoxyethyl)piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-(2,2-dimethoxyethyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-(2,2-dimethoxyethyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(2,2-dimethoxyethyl)piperazin-4-ium-1-yl]benzoate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

COC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-])OC

Isomeric SMILES

COC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-])OC

InChI

InChI=1S/C15H22N2O4/c1-20-14(21-2)11-16-7-9-17(10-8-16)13-5-3-12(4-6-13)15(18)19/h3-6,14H,7-11H2,1-2H3,(H,18,19)