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

Systemtic Name: ethyl 4-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H29N3O4/c1-3-29-21-8-6-5-7-20(21)26-15-13-25(14-16-26)17-22(27)24-19-11-9-18(10-12-19)23(28)30-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,24,27)/p+1