2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone bromide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone bromide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone bromide CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)-1-(10-phenothiazinyl)ethanone bromide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-ylethanone bromide Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone bromide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Br-]

InChI

InChI=1S/C20H23N2OS.BrH/c1-22(13-7-2-8-14-22)15-20(23)21-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)21;/h3-6,9-12H,2,7-8,13-15H2,1H3;1H/q+1;/p-1