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

Systemtic Name: 5-butyl-5-[2-[(5-chloranylpyridin-1-ium-2-yl)amino]ethanoyl]oxolan-2-one bromide Openeye Name: 5-butyl-5-[2-[(5-chloropyridin-1-ium-2-yl)amino]acetyl]tetrahydrofuran-2-one bromide CAS Name: 5-butyl-5-[2-[(5-chloro-2-pyridin-1-iumyl)amino]-1-oxoethyl]-2-oxolanone bromide IUPAC Name: 5-butyl-5-[2-[(5-chloropyridin-1-ium-2-yl)amino]acetyl]oxolan-2-one bromide Traditional Name: 5-butyl-5-[2-[(5-chloropyridin-1-ium-2-yl)amino]acetyl]tetrahydrofuran-2-one bromide Formula: C15H20BrClN2O3 MolecularWeight: 391.6879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O3.BrH/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);1H