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

Systemtic Name: 3,5-dimethyl-4-[[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[(2S)-2-[2-(2-thienyl)ethyl]piperidin-1-ium-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[(2S)-2-(2-thiophen-2-ylethyl)-1-piperidin-1-iumyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[(2S)-2-[2-(2-thienyl)ethyl]piperidin-1-ium-1-yl]methyl]isoxazole Formula: C17H25N2OS+ MolecularWeight: 305.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCCCC2CCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCCC[C@H]2CCC3=CC=CS3

InChI

InChI=1S/C17H24N2OS/c1-13-17(14(2)20-18-13)12-19-10-4-3-6-15(19)8-9-16-7-5-11-21-16/h5,7,11,15H,3-4,6,8-10,12H2,1-2H3/p+1/t15-/m0/s1