1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]phenyl]ethanone Openeye Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]phenyl]ethanone CAS Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethoxy]phenyl]ethanone IUPAC Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]phenyl]ethanone Traditional Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]phenyl]ethanone Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O2S/c1-16(25)17-6-2-4-8-19(17)26-15-14-23-10-12-24(13-11-23)21-18-7-3-5-9-20(18)27-22-21/h2-9H,10-15H2,1H3/p+1