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

Systemtic Name: 5-methyl-3-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[(2S)-2-thiazol-2-ylpiperidin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[(2S)-2-(2-thiazolyl)-1-piperidin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[(2S)-2-thiazol-2-ylpiperidin-1-ium-1-yl]methyl]isoxazole Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCCCC2C3=NC=CS3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCCC[C@H]2C3=NC=CS3

InChI

InChI=1S/C13H17N3OS/c1-10-8-11(15-17-10)9-16-6-3-2-4-12(16)13-14-5-7-18-13/h5,7-8,12H,2-4,6,9H2,1H3/p+1/t12-/m0/s1