methyl 3-[4-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)morpholin-4-ium-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)morpholin-4-ium-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[4-(1,1-dimethyl-2-oxo-2-phenyl-ethyl)morpholin-4-ium-4-yl]sulfanylpropanoate CAS Name: 3-[[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)-4-morpholin-4-iumyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)morpholin-4-ium-4-yl]sulfanylpropanoate Traditional Name: 3-[[4-(2-keto-1,1-dimethyl-2-phenyl-ethyl)morpholin-4-ium-4-yl]thio]propionic acid methyl ester Formula: C18H26NO4S+ MolecularWeight: 352.46834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=CC=C1)[N+]2(CCOCC2)SCCC(=O)OC

Isomeric SMILES

CC(C)(C(=O)C1=CC=CC=C1)[N+]2(CCOCC2)SCCC(=O)OC

InChI

InChI=1S/C18H26NO4S/c1-18(2,17(21)15-7-5-4-6-8-15)19(10-12-23-13-11-19)24-14-9-16(20)22-3/h4-8H,9-14H2,1-3H3/q+1