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

Systemtic Name: 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H19N3O2S/c25-21(18-13-15-5-1-3-7-17(15)26-18)24-11-9-23(10-12-24)14-20-22-16-6-2-4-8-19(16)27-20/h1-8,13H,9-12,14H2/p+1