2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethanol diiodide

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethanol diiodide Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethanol diiodide CAS Name: 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1,4-dimethyl-1-piperazine-1,4-diiumyl]ethanol diiodide IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]ethanol diiodide Traditional Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethanol diiodide Formula: C23H32ClI2N3OS MolecularWeight: 687.84662

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC1)(C)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[I-].[I-]

Isomeric SMILES

C[N+]1(CC[N+](CC1)(C)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[I-].[I-]

InChI

InChI=1S/C23H32ClN3OS.2HI/c1-26(12-14-27(2,15-13-26)16-17-28)11-5-10-25-20-6-3-4-7-22(20)29-23-9-8-19(24)18-21(23)25;;/h3-4,6-9,18,28H,5,10-17H2,1-2H3;2*1H/q+2;;/p-2