(5S)-5-butyl-5-[2-[(5-chloranylpyridin-1-ium-2-yl)amino]ethanoyl]oxolan-2-one

Systemtic Name: (5S)-5-butyl-5-[2-[(5-chloranylpyridin-1-ium-2-yl)amino]ethanoyl]oxolan-2-one Openeye Name: (5S)-5-butyl-5-[2-[(5-chloropyridin-1-ium-2-yl)amino]acetyl]tetrahydrofuran-2-one CAS Name: (5S)-5-butyl-5-[2-[(5-chloro-2-pyridin-1-iumyl)amino]-1-oxoethyl]-2-oxolanone IUPAC Name: (5S)-5-butyl-5-[2-[(5-chloropyridin-1-ium-2-yl)amino]acetyl]oxolan-2-one Traditional Name: (5S)-5-butyl-5-[2-[(5-chloropyridin-1-ium-2-yl)amino]acetyl]tetrahydrofuran-2-one Formula: C15H20ClN2O3+ MolecularWeight: 311.7839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(=O)O1)C(=O)CNC2=[NH+]C=C(C=C2)Cl

Isomeric SMILES

CCCC[C@]1(CCC(=O)O1)C(=O)CNC2=[NH+]C=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN2O3/c1-2-3-7-15(8-6-14(20)21-15)12(19)10-18-13-5-4-11(16)9-17-13/h4-5,9H,2-3,6-8,10H2,1H3,(H,17,18)/p+1/t15-/m0/s1