2-(5-methyl-5-oxidanyl-hexyl)-1-oxidanylidene-2H-indol-1-ium-3-one

Systemtic Name: 2-(5-methyl-5-oxidanyl-hexyl)-1-oxidanylidene-2H-indol-1-ium-3-one Openeye Name: 2-(5-hydroxy-5-methyl-hexyl)-1-oxo-indolin-1-ium-3-one CAS Name: 2-(5-hydroxy-5-methylhexyl)-1-oxo-2H-indol-1-ium-3-one IUPAC Name: 2-(5-hydroxy-5-methylhexyl)-1-oxo-2H-indol-1-ium-3-one Traditional Name: 2-(5-hydroxy-5-methyl-hexyl)-1-keto-indolin-1-ium-3-one Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1C(=O)C2=CC=CC=C2[N+]1=O)O

Isomeric SMILES

CC(C)(CCCCC1C(=O)C2=CC=CC=C2[N+]1=O)O

InChI

InChI=1S/C15H20NO3/c1-15(2,18)10-6-5-9-13-14(17)11-7-3-4-8-12(11)16(13)19/h3-4,7-8,13,18H,5-6,9-10H2,1-2H3/q+1