methyl 4-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H21N3O4/c1-12(20)19-9-7-18(8-10-19)11-15(21)17-14-5-3-13(4-6-14)16(22)23-2/h3-6H,7-11H2,1-2H3,(H,17,21)/p+1