1-[[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[[5-methyl-2-(4-methylsulfanylphenyl)oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[[5-methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methyl]-4-piperidin-1-iumyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[[5-methyl-2-[4-(methylthio)phenyl]oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methyl]-2-pyrrolidone Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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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)CN4CCCC4=O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCC(CC3)CN4CCCC4=O

InChI

InChI=1S/C22H29N3O2S/c1-16-20(23-22(27-16)18-5-7-19(28-2)8-6-18)15-24-12-9-17(10-13-24)14-25-11-3-4-21(25)26/h5-8,17H,3-4,9-15H2,1-2H3/p+1