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

Systemtic Name: 1-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-17(27)18-8-9-20(21(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)23-19-6-3-4-7-22(19)30-24-23/h3-4,6-9,16H,5,10-15H2,1-2H3/p+1