5-methyl-N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[[(3R)-1-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-[[(3R)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]methyl]isoxazole-3-carboxamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC2CCC[NH+](C2)CC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C19H25N3O2S/c1-14-9-18(21-24-14)19(23)20-11-16-6-4-8-22(13-16)12-15-5-3-7-17(10-15)25-2/h3,5,7,9-10,16H,4,6,8,11-13H2,1-2H3,(H,20,23)/p+1/t16-/m1/s1