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

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C20H20N3OS2+ MolecularWeight: 382.5223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NOC(=C4)C5=CC=CS5

InChI

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