2-isoquinolin-2-ium-2-yl-1-phenothiazin-10-yl-ethanone chloride

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-phenothiazin-10-yl-ethanone chloride Openeye Name: 2-isoquinolin-2-ium-2-yl-1-phenothiazin-10-yl-ethanone chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(10-phenothiazinyl)ethanone chloride IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenothiazin-10-ylethanone chloride Traditional Name: 2-isoquinolin-2-ium-2-yl-1-phenothiazin-10-yl-ethanone chloride Formula: C23H17ClN2OS MolecularWeight: 404.91188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53.[Cl-]

InChI

InChI=1S/C23H17N2OS.ClH/c26-23(16-24-14-13-17-7-1-2-8-18(17)15-24)25-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)25;/h1-15H,16H2;1H/q+1;/p-1