(2R)-1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[[2-(2-thienyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-thiophen-2-yl-3-imidazo[1,2-a]pyrimidinyl)methyl]-2-piperidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[2-(2-thienyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidin-1-ium-2-carboxylate Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)[O-])CC2=C(N=C3N2C=CC=N3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)[O-])CC2=C(N=C3N2C=CC=N3)C4=CC=CS4

InChI

InChI=1S/C17H18N4O2S/c22-16(23)12-5-1-2-8-20(12)11-13-15(14-6-3-10-24-14)19-17-18-7-4-9-21(13)17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23)/t12-/m1/s1