(3S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide Openeye Name: (3S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide Traditional Name: (3S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]tetrahydrofuran-3-carboxamide Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2CCOC2

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)[C@H]2CCOC2

InChI

InChI=1S/C13H19N3O2/c1-16(2)12-10(4-3-6-14-12)8-15-13(17)11-5-7-18-9-11/h3-4,6,11H,5,7-9H2,1-2H3,(H,15,17)/p+1/t11-/m0/s1