methyl 4-[5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)oxazol-2-yl]benzoate CAS Name: 4-[5-methyl-4-(4-thiomorpholin-4-iumylmethyl)-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)oxazol-2-yl]benzoic acid methyl ester Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCSCC3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCSCC3

InChI

InChI=1S/C17H20N2O3S/c1-12-15(11-19-7-9-23-10-8-19)18-16(22-12)13-3-5-14(6-4-13)17(20)21-2/h3-6H,7-11H2,1-2H3/p+1