2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; (E)-octadec-9-enoate

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; (E)-octadec-9-enoate Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; (E)-octadec-9-enoate CAS Name: 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol; (E)-9-octadecenoate IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; (E)-octadec-9-enoate Traditional Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethanol; (E)-octadec-9-enoate Formula: C39H59ClN3O3S- MolecularWeight: 685.42206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3OS.C18H34O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1-2,4-7,16,26H,3,8-15H2;9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b;10-9+