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

Systemtic Name: (3R,5S)-3-butyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)ethanoyl]oxolan-2-one Openeye Name: (3R,5S)-3-butyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]tetrahydrofuran-2-one CAS Name: (3R,5S)-3-butyl-5-methyl-5-[1-oxo-2-(2-pyridin-1-iumylamino)ethyl]-2-oxolanone IUPAC Name: (3R,5S)-3-butyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]oxolan-2-one Traditional Name: (3R,5S)-3-butyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]tetrahydrofuran-2-one Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)CNC2=CC=CC=[NH+]2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-3-4-7-12-10-16(2,21-15(12)20)13(19)11-18-14-8-5-6-9-17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,18)/p+1/t12-,16+/m1/s1