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

Systemtic Name: (3R,5S)-3-hexyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)ethanoyl]oxolan-2-one Openeye Name: (3R,5S)-3-hexyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]tetrahydrofuran-2-one CAS Name: (3R,5S)-3-hexyl-5-methyl-5-[1-oxo-2-(2-pyridin-1-iumylamino)ethyl]-2-oxolanone IUPAC Name: (3R,5S)-3-hexyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]oxolan-2-one Traditional Name: (3R,5S)-3-hexyl-5-methyl-5-[2-(pyridin-1-ium-2-ylamino)acetyl]tetrahydrofuran-2-one Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC1=O)(C)C(=O)CNC2=CC=CC=[NH+]2

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-3-4-5-6-9-14-12-18(2,23-17(14)22)15(21)13-20-16-10-7-8-11-19-16/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,19,20)/p+1/t14-,18+/m1/s1