methyl 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C15H19N4O3+ MolecularWeight: 303.33636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H18N4O3/c1-21-14(20)13-4-3-12(22-13)11-18-7-9-19(10-8-18)15-16-5-2-6-17-15/h2-6H,7-11H2,1H3/p+1