methyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C16H20N4O3/c1-12-10-13(23-14(12)15(21)22-2)11-19-6-8-20(9-7-19)16-17-4-3-5-18-16/h3-5,10H,6-9,11H2,1-2H3/p+1