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

Systemtic Name: 5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 5-methyl-4-[[(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCCCC3CCN4C=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCCC[C@H]3CCN4C=CC=N4

InChI

InChI=1S/C19H24N4OS/c1-15-17(21-19(24-15)18-7-4-13-25-18)14-22-10-3-2-6-16(22)8-12-23-11-5-9-20-23/h4-5,7,9,11,13,16H,2-3,6,8,10,12,14H2,1H3/p+1/t16-/m0/s1