5-butanoyl-1-butyl-4-methyl-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid

Systemtic Name: 5-butanoyl-1-butyl-4-methyl-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid Openeye Name: 5-butanoyl-1-butyl-4-methyl-2,3-dioxo-indolin-1-ium-1-carboxylic acid CAS Name: 1-butyl-4-methyl-2,3-dioxo-5-(1-oxobutyl)-1-indol-1-iumcarboxylic acid IUPAC Name: 5-butanoyl-1-butyl-4-methyl-2,3-dioxoindol-1-ium-1-carboxylic acid Traditional Name: 1-butyl-5-butyryl-2,3-diketo-4-methyl-indolin-1-ium-1-carboxylic acid Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=C(C(=C(C=C2)C(=O)CCC)C)C(=O)C1=O)C(=O)O

Isomeric SMILES

CCCC[N+]1(C2=C(C(=C(C=C2)C(=O)CCC)C)C(=O)C1=O)C(=O)O

InChI

InChI=1S/C18H21NO5/c1-4-6-10-19(18(23)24)13-9-8-12(14(20)7-5-2)11(3)15(13)16(21)17(19)22/h8-9H,4-7,10H2,1-3H3/p+1