3-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Openeye Name: 3-(5-bromo-3-hydroxy-2-oxo-indolin-3-yl)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one CAS Name: 3-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one IUPAC Name: 3-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Traditional Name: 3-(5-bromo-3-hydroxy-2-keto-indolin-3-yl)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Formula: C17H21BrN3O3+ MolecularWeight: 395.27094

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Descriptors Computed from Structure

Canonical SMILES:

CC12C[NH2+]CC(C1=O)(CN(C2)C3(C4=C(C=CC(=C4)Br)NC3=O)O)C

Isomeric SMILES

CC12C[NH2+]CC(C1=O)(CN(C2)C3(C4=C(C=CC(=C4)Br)NC3=O)O)C

InChI

InChI=1S/C17H20BrN3O3/c1-15-6-19-7-16(2,13(15)22)9-21(8-15)17(24)11-5-10(18)3-4-12(11)20-14(17)23/h3-5,19,24H,6-9H2,1-2H3,(H,20,23)/p+1