5-methyl-2-(4-methylsulfanylphenyl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 5-methyl-2-(4-methylsulfanylphenyl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(4-methylsulfanylphenyl)-4-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 5-methyl-2-[4-(methylthio)phenyl]-4-[[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(4-methylsulfanylphenyl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-2-[4-(methylthio)phenyl]-4-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCCCC3C4=CC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCCC[C@H]3C4=CC=CC=N4

InChI

InChI=1S/C22H25N3OS/c1-16-20(24-22(26-16)17-9-11-18(27-2)12-10-17)15-25-14-6-4-8-21(25)19-7-3-5-13-23-19/h3,5,7,9-13,21H,4,6,8,14-15H2,1-2H3/p+1/t21-/m0/s1