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

Systemtic Name: 4-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Openeye Name: 4-[1-[[5-methyl-2-(4-methylsulfanylphenyl)oxazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine CAS Name: 4-[1-[[5-methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methyl]-4-piperidin-1-iumyl]morpholine IUPAC Name: 4-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Traditional Name: 4-[1-[[5-methyl-2-[4-(methylthio)phenyl]oxazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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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)N4CCOCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCC(CC3)N4CCOCC4

InChI

InChI=1S/C21H29N3O2S/c1-16-20(22-21(26-16)17-3-5-19(27-2)6-4-17)15-23-9-7-18(8-10-23)24-11-13-25-14-12-24/h3-6,18H,7-15H2,1-2H3/p+1