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

Systemtic Name: 5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-furoate Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

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