methyl 2-(3-phenylsulfanyl-1-piperidin-1-ium-1-ylidene-propyl)sulfanylethanoate bromide

Systemtic Name: methyl 2-(3-phenylsulfanyl-1-piperidin-1-ium-1-ylidene-propyl)sulfanylethanoate bromide Openeye Name: methyl 2-(3-phenylsulfanyl-1-piperidin-1-ium-1-ylidene-propyl)sulfanylacetate bromide CAS Name: 2-[[3-(phenylthio)-1-(1-piperidin-1-iumylidene)propyl]thio]acetic acid methyl ester bromide IUPAC Name: methyl 2-(3-phenylsulfanyl-1-piperidin-1-ium-1-ylidenepropyl)sulfanylacetate bromide Traditional Name: 2-[[3-(phenylthio)-1-piperidin-1-ium-1-ylidene-propyl]thio]acetic acid methyl ester bromide Formula: C17H24BrNO2S2 MolecularWeight: 418.41196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=[N+]1CCCCC1)CCSC2=CC=CC=C2.[Br-]

Isomeric SMILES

COC(=O)CSC(=[N+]1CCCCC1)CCSC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H24NO2S2.BrH/c1-20-17(19)14-22-16(18-11-6-3-7-12-18)10-13-21-15-8-4-2-5-9-15;/h2,4-5,8-9H,3,6-7,10-14H2,1H3;1H/q+1;/p-1