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

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C20H20N3OS2+ MolecularWeight: 382.5223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C20H19N3OS2/c1-2-5-17-16(4-1)22-20(26-17)14-7-9-23(10-8-14)12-15-13-24-19(21-15)18-6-3-11-25-18/h1-6,11,13-14H,7-10,12H2/p+1