2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoic acid bromide

Systemtic Name: 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoic acid bromide Openeye Name: 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetic acid bromide CAS Name: 2-[[2-(3-methoxyphenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid bromide IUPAC Name: 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetic acid bromide Traditional Name: 2-[[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid bromide Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=[N+]2CCCCC2)SCC(=O)O.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)CC(=[N+]2CCCCC2)SCC(=O)O.[Br-]

InChI

InChI=1S/C16H21NO3S.BrH/c1-20-14-7-5-6-13(10-14)11-15(21-12-16(18)19)17-8-3-2-4-9-17;/h5-7,10H,2-4,8-9,11-12H2,1H3;1H