oxidanylidene-[[1-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)pyridin-4-ylidene]methyl]azanium bromide

Systemtic Name: oxidanylidene-[[1-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)pyridin-4-ylidene]methyl]azanium bromide Openeye Name: oxo-[[1-(2-oxo-2-phenothiazin-10-yl-ethyl)-4-pyridylidene]methyl]ammonium bromide CAS Name: oxo-[[1-[2-oxo-2-(10-phenothiazinyl)ethyl]-4-pyridinylidene]methyl]ammonium bromide IUPAC Name: oxo-[[1-(2-oxo-2-phenothiazin-10-ylethyl)pyridin-4-ylidene]methyl]azanium bromide Traditional Name: keto-[[1-(2-keto-2-phenothiazin-10-yl-ethyl)-4-pyridylidene]methyl]ammonium bromide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN4C=CC(=C[NH+]=O)C=C4.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CN4C=CC(=C[NH+]=O)C=C4.[Br-]

InChI

InChI=1S/C20H15N3O2S.BrH/c24-20(14-22-11-9-15(10-12-22)13-21-25)23-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)23;/h1-13H,14H2;1H