5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazole

Systemtic Name: 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazole Openeye Name: 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ium-4-ylmethyl)oxazole CAS Name: 5-methyl-2-(3-phenoxyphenyl)-4-(4-thiomorpholin-4-iumylmethyl)oxazole IUPAC Name: 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazole Traditional Name: 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ium-4-ylmethyl)oxazole Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCSCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCSCC4

InChI

InChI=1S/C21H22N2O2S/c1-16-20(15-23-10-12-26-13-11-23)22-21(24-16)17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3/p+1