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

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1,4-diium-1-yl]ethanol Formula: C21H28ClN3OS+2 MolecularWeight: 405.98452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO

InChI

InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2/p+2