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

Systemtic Name: ethyl 4-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H25N3O3/c1-3-19-9-11-20(12-10-19)13-16(21)18-15-7-5-14(6-8-15)17(22)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)/p+1