2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[[(2R)-2-oxolanyl]methylamino]-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CS3

Isomeric SMILES

C1C[C@@H](OC1)CNC2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H19N3O2S/c20-16(19-11-13-5-3-9-22-13)14-6-1-7-17-15(14)18-10-12-4-2-8-21-12/h1,3,5-7,9,12H,2,4,8,10-11H2,(H,17,18)(H,19,20)/p+1/t12-/m1/s1