1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2,2-dimethylcoumaran-7-yl)oxy-ethanone Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C24H27N3O3S/c1-24(2)14-17-6-5-8-19(23(17)30-24)29-16-22(28)27-12-10-26(11-13-27)15-21-25-18-7-3-4-9-20(18)31-21/h3-9H,10-16H2,1-2H3/p+1