2-[(2E)-2-[2-(3-methoxyphenyl)ethylidene]piperidin-1-ium-1-yl]sulfanylethanoic acid bromide

Systemtic Name: 2-[(2E)-2-[2-(3-methoxyphenyl)ethylidene]piperidin-1-ium-1-yl]sulfanylethanoic acid bromide Openeye Name: 2-[(2E)-2-[2-(3-methoxyphenyl)ethylidene]piperidin-1-ium-1-yl]sulfanylacetic acid bromide CAS Name: 2-[[(2E)-2-[2-(3-methoxyphenyl)ethylidene]-1-piperidin-1-iumyl]thio]acetic acid bromide IUPAC Name: 2-[(2E)-2-[2-(3-methoxyphenyl)ethylidene]piperidin-1-ium-1-yl]sulfanylacetic acid bromide Traditional Name: 2-[[(2E)-2-[2-(3-methoxyphenyl)ethylidene]piperidin-1-ium-1-yl]thio]acetic acid bromide Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC=C2CCCC[NH+]2SCC(=O)O.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C/C=C/2\CCCC[NH+]2SCC(=O)O.[Br-]

InChI

InChI=1S/C16H21NO3S.BrH/c1-20-15-7-4-5-13(11-15)8-9-14-6-2-3-10-17(14)21-12-16(18)19;/h4-5,7,9,11H,2-3,6,8,10,12H2,1H3,(H,18,19);1H/b14-9+;