1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-ethanoylphenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-ethanoylphenoxy)ethanone Openeye Name: 2-(3-acetylphenoxy)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-acetylphenoxy)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-acetylphenoxy)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-acetylphenoxy)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S/c1-16(26)17-5-4-6-18(13-17)28-15-22(27)25-11-9-24(10-12-25)14-21-23-19-7-2-3-8-20(19)29-21/h2-8,13H,9-12,14-15H2,1H3/p+1