ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]butyric acid ethyl ester Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCOC(=O)CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H25N5O3/c1-2-24-15(23)5-3-6-17-14(22)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h4,7-8H,2-3,5-6,9-13H2,1H3,(H,17,22)/p+1