2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-bis(chloranyl)-2H-furan-5-one

Systemtic Name: 2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-bis(chloranyl)-2H-furan-5-one Openeye Name: 2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-dichloro-2H-furan-5-one CAS Name: 2-(1-butyl-1-methyl-3-indol-1-iumyl)-3,4-dichloro-2H-furan-5-one IUPAC Name: 2-(1-butyl-1-methylindol-1-ium-3-yl)-3,4-dichloro-2H-furan-5-one Traditional Name: 2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-dichloro-2H-furan-5-one Formula: C17H18Cl2NO2+ MolecularWeight: 339.23632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C2=CC=CC=C21)C3C(=C(C(=O)O3)Cl)Cl)C

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C3C(=C(C(=O)O3)Cl)Cl)C

InChI

InChI=1S/C17H18Cl2NO2/c1-3-4-9-20(2)10-12(11-7-5-6-8-13(11)20)16-14(18)15(19)17(21)22-16/h5-8,10,16H,3-4,9H2,1-2H3/q+1