2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; zinc; hydrate

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; zinc; hydrate Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; zinc; hydrate CAS Name: 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol; zinc; hydrate IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; zinc; hydrate Traditional Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethanol; zinc; hydrate Formula: C21H28ClN3O2SZn MolecularWeight: 487.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.O.[Zn]

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.O.[Zn]

InChI

InChI=1S/C21H26ClN3OS.H2O.Zn/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;1H2;