1-(2-chloranylphenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethanone Formula: C20H24ClN3O2S+2 MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-15-5-6-19-17(13-15)24(16-3-1-2-4-18(16)27-19)20(26)14-23-9-7-22(8-10-23)11-12-25/h1-6,13,25H,7-12,14H2/p+2