4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole

Systemtic Name: 4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole Openeye Name: 4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)oxazole CAS Name: 4-[[(2R)-2-(2-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-methyl-2-[4-(methylthio)phenyl]oxazole IUPAC Name: 4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole Traditional Name: 4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-[4-(methylthio)phenyl]oxazole Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCCC3C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCC[C@@H]3C4=CC=CC=C4OC

InChI

InChI=1S/C23H26N2O2S/c1-16-20(24-23(27-16)17-10-12-18(28-3)13-11-17)15-25-14-6-8-21(25)19-7-4-5-9-22(19)26-2/h4-5,7,9-13,21H,6,8,14-15H2,1-3H3/p+1/t21-/m1/s1