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

Systemtic Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]benzoate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H24N2O3/c1-2-25-19-6-4-3-5-18(19)22-13-11-21(12-14-22)15-16-7-9-17(10-8-16)20(23)24/h3-10H,2,11-15H2,1H3,(H,23,24)