1-[(3R,4S,5R)-5-ethyl-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(3R,4S,5R)-5-ethyl-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxy-2-oxolanyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)[N+]2=CC=CC(=C2)C(=O)N)O)O

Isomeric SMILES

CC[C@@H]1[C@H]([C@H](C(O1)[N+]2=CC=CC(=C2)C(=O)N)O)O

InChI

InChI=1S/C12H16N2O4/c1-2-8-9(15)10(16)12(18-8)14-5-3-4-7(6-14)11(13)17/h3-6,8-10,12,15-16H,2H2,1H3,(H-,13,17)/p+1/t8-,9-,10-,12?/m1/s1