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

Systemtic Name: 1-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[2-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2S/c1-17(26)18-7-2-4-9-20(18)27-16-6-11-24-12-14-25(15-13-24)22-19-8-3-5-10-21(19)28-23-22/h2-5,7-10H,6,11-16H2,1H3/p+1