methyl 2-(1-morpholin-4-ium-4-ylidene-2-phenyl-ethyl)sulfanylethanoate bromide

Systemtic Name: methyl 2-(1-morpholin-4-ium-4-ylidene-2-phenyl-ethyl)sulfanylethanoate bromide Openeye Name: methyl 2-(1-morpholin-4-ium-4-ylidene-2-phenyl-ethyl)sulfanylacetate bromide CAS Name: 2-[[1-(4-morpholin-4-iumylidene)-2-phenylethyl]thio]acetic acid methyl ester bromide IUPAC Name: methyl 2-(1-morpholin-4-ium-4-ylidene-2-phenylethyl)sulfanylacetate bromide Traditional Name: 2-[(1-morpholin-4-ium-4-ylidene-2-phenyl-ethyl)thio]acetic acid methyl ester bromide Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=[N+]1CCOCC1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

COC(=O)CSC(=[N+]1CCOCC1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H20NO3S.BrH/c1-18-15(17)12-20-14(16-7-9-19-10-8-16)11-13-5-3-2-4-6-13;/h2-6H,7-12H2,1H3;1H/q+1;/p-1