2-[(1E)-1-(2-naphthalen-2-ylethylidene)piperidin-1-ium-2-yl]sulfanylethanoic acid bromide

Systemtic Name: 2-[(1E)-1-(2-naphthalen-2-ylethylidene)piperidin-1-ium-2-yl]sulfanylethanoic acid bromide Openeye Name: 2-[(1E)-1-[2-(2-naphthyl)ethylidene]piperidin-1-ium-2-yl]sulfanylacetic acid bromide CAS Name: 2-[[(1E)-1-[2-(2-naphthalenyl)ethylidene]-2-piperidin-1-iumyl]thio]acetic acid bromide IUPAC Name: 2-[(1E)-1-(2-naphthalen-2-ylethylidene)piperidin-1-ium-2-yl]sulfanylacetic acid bromide Traditional Name: 2-[[(1E)-1-[2-(2-naphthyl)ethylidene]piperidin-1-ium-2-yl]thio]acetic acid bromide Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=CCC2=CC3=CC=CC=C3C=C2)C(C1)SCC(=O)O.[Br-]

Isomeric SMILES

C1CC/[N+](=C\CC2=CC3=CC=CC=C3C=C2)/C(C1)SCC(=O)O.[Br-]

InChI

InChI=1S/C19H21NO2S.BrH/c21-19(22)14-23-18-7-3-4-11-20(18)12-10-15-8-9-16-5-1-2-6-17(16)13-15;/h1-2,5-6,8-9,12-13,18H,3-4,7,10-11,14H2;1H/b20-12+;