2-(2-naphthalen-2-yl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylethanoic acid bromide

Systemtic Name: 2-(2-naphthalen-2-yl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylethanoic acid bromide Openeye Name: 2-[2-(2-naphthyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetic acid bromide CAS Name: 2-[[2-(2-naphthalenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid bromide IUPAC Name: 2-(2-naphthalen-2-yl-1-piperidin-1-ium-1-ylideneethyl)sulfanylacetic acid bromide Traditional Name: 2-[[2-(2-naphthyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid bromide Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(CC2=CC3=CC=CC=C3C=C2)SCC(=O)O)CC1.[Br-]

Isomeric SMILES

C1CC[N+](=C(CC2=CC3=CC=CC=C3C=C2)SCC(=O)O)CC1.[Br-]

InChI

InChI=1S/C19H21NO2S.BrH/c21-19(22)14-23-18(20-10-4-1-5-11-20)13-15-8-9-16-6-2-3-7-17(16)12-15;/h2-3,6-9,12H,1,4-5,10-11,13-14H2;1H