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

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

C1CC(C[NH+](C1)CC2=NOC(=C2)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC(=C2)C3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3OS2/c1-2-7-18-16(6-1)21-20(26-18)14-5-3-9-23(12-14)13-15-11-17(24-22-15)19-8-4-10-25-19/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2/p+1/t14-/m0/s1