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

Systemtic Name: 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(3-pyridylmethoxy)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 5-methyl-2-[4-(methylthio)phenyl]-4-[[4-(3-pyridinylmethoxy)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-2-[4-(methylthio)phenyl]-4-[[4-(3-pyridylmethoxy)piperidin-1-ium-1-yl]methyl]oxazole Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCC(CC3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCC(CC3)OCC4=CN=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-17-22(25-23(28-17)19-5-7-21(29-2)8-6-19)15-26-12-9-20(10-13-26)27-16-18-4-3-11-24-14-18/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3/p+1