1-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 1-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-(2-oxo-2-phenothiazin-10-yl-ethyl)quinuclidin-1-ium-3-one CAS Name: 1-[2-oxo-2-(10-phenothiazinyl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-(2-oxo-2-phenothiazin-10-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(2-keto-2-phenothiazin-10-yl-ethyl)quinuclidin-1-ium-3-one Formula: C21H21N2O2S+ MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(=O)C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1C[N+]2(CCC1C(=O)C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C21H21N2O2S/c24-18-13-23(11-9-15(18)10-12-23)14-21(25)22-16-5-1-3-7-19(16)26-20-8-4-2-6-17(20)22/h1-8,15H,9-14H2/q+1