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

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-27-18-7-5-17(6-8-18)23-11-9-22(10-12-23)14-19(24)21-16-4-2-3-15(13-16)20(25)26/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,25,26)