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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(N=C3N2C=CC=N3)C4=CC=CS4)C(=O)[O-]

InChI

InChI=1S/C17H18N4O2S/c22-16(23)12-4-1-7-20(10-12)11-13-15(14-5-2-9-24-14)19-17-18-6-3-8-21(13)17/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,22,23)/t12-/m0/s1