N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]propionamide Formula: C23H30FN2OS+ MolecularWeight: 401.560503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H29FN2OS/c1-17-13-20(24)9-10-22(17)25-23(27)11-8-18-6-4-12-26(15-18)16-19-5-3-7-21(14-19)28-2/h3,5,7,9-10,13-14,18H,4,6,8,11-12,15-16H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1