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

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzoate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O3/c22-19(23)16-6-8-17(9-7-16)21-12-10-20(11-13-21)14-15-24-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,23)