1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-16(27)17-7-8-20(29-2)18(13-17)14-23(28)26-11-9-25(10-12-26)15-22-24-19-5-3-4-6-21(19)30-22/h3-8,13H,9-12,14-15H2,1-2H3/p+1