2-[(R)-furan-2-yl(piperidin-1-ium-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(R)-furan-2-yl(piperidin-1-ium-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(R)-2-furyl(piperidin-1-ium-1-yl)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(R)-2-furanyl(1-piperidin-1-iumyl)methyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(R)-furan-2-yl(piperidin-1-ium-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(R)-2-furyl(piperidin-1-ium-1-yl)methyl]-4-methyl-thiazole-5-carboxylate Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C2=CC=CO2)[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)[C@@H](C2=CC=CO2)[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-10-13(15(18)19)21-14(16-10)12(11-6-5-9-20-11)17-7-3-2-4-8-17/h5-6,9,12H,2-4,7-8H2,1H3,(H,18,19)/t12-/m1/s1