3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole Formula: C20H20N3O2S+ MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NOC(=C4)C5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NOC(=C4)C5=CC=CO5

InChI

InChI=1S/C20H19N3O2S/c1-2-6-19-16(4-1)21-20(26-19)14-7-9-23(10-8-14)13-15-12-18(25-22-15)17-5-3-11-24-17/h1-6,11-12,14H,7-10,13H2/p+1