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

Systemtic Name: 4-[[(3S)-3-[(2-fluoranylphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole Openeye Name: 4-[[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(3-thienyl)oxazole CAS Name: 4-[[(3S)-3-[(2-fluorophenoxy)methyl]-1-piperidin-1-iumyl]methyl]-5-methyl-2-(3-thiophenyl)oxazole IUPAC Name: 4-[[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole Traditional Name: 4-[[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(3-thienyl)oxazole Formula: C21H24FN2O2S+ MolecularWeight: 387.490863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCCC(C3)COC4=CC=CC=C4F

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCC[C@@H](C3)COC4=CC=CC=C4F

InChI

InChI=1S/C21H23FN2O2S/c1-15-19(23-21(26-15)17-8-10-27-14-17)12-24-9-4-5-16(11-24)13-25-20-7-3-2-6-18(20)22/h2-3,6-8,10,14,16H,4-5,9,11-13H2,1H3/p+1/t16-/m0/s1