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

Systemtic Name: ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H23N5O3/c1-2-27-18(26)15-4-6-16(7-5-15)22-17(25)14-23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,2,10-14H2,1H3,(H,22,25)/p+1