(3R,5S)-5-methyl-3-propyl-5-[2-(pyridin-1-ium-2-ylamino)ethanoyl]oxolan-2-one

Systemtic Name: (3R,5S)-5-methyl-3-propyl-5-[2-(pyridin-1-ium-2-ylamino)ethanoyl]oxolan-2-one Openeye Name: (3R,5S)-5-methyl-3-propyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]tetrahydrofuran-2-one CAS Name: (3R,5S)-5-methyl-5-[1-oxo-2-(2-pyridin-1-iumylamino)ethyl]-3-propyl-2-oxolanone IUPAC Name: (3R,5S)-5-methyl-3-propyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]oxolan-2-one Traditional Name: (3R,5S)-5-methyl-3-propyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]tetrahydrofuran-2-one Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)(C)C(=O)CNC2=CC=CC=[NH+]2

Isomeric SMILES

CCC[C@@H]1C[C@@](OC1=O)(C)C(=O)CNC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/p+1/t11-,15+/m1/s1