1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(6-methoxy-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O3S/c1-28-17-6-7-18-16(15-29-20(18)13-17)12-23(27)26-10-8-25(9-11-26)14-22-24-19-4-2-3-5-21(19)30-22/h2-7,13,15H,8-12,14H2,1H3/p+1