N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[(2-methyl-4-oxidanylidene-pyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[(2-methyl-4-oxidanylidene-pyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[(2-methyl-4-oxo-pyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[(2-methyl-4-oxo-3-pyranyl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[(4-keto-2-methyl-pyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide Formula: C17H23N4O5+ MolecularWeight: 363.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=NC(=NO2)COC3=C(OC=CC3=O)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=NC(=NO2)COC3=C(OC=CC3=O)C

InChI

InChI=1S/C17H22N4O5/c1-3-21-7-4-5-12(21)9-18-16(23)17-19-14(20-26-17)10-25-15-11(2)24-8-6-13(15)22/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,18,23)/p+1/t12-/m0/s1