ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-methylsulfanylpropyl)azanium

Systemtic Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-methylsulfanylpropyl)azanium Openeye Name: ethyl-(3-methylsulfanylpropyl)-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-[3-(methylthio)propyl]ammonium IUPAC Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-methylsulfanylpropyl)azanium Traditional Name: ethyl-[3-(methylthio)propyl]-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C21H38N2S+2 MolecularWeight: 350.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCSC)CC1CC[NH+](CC1)CCC2=CC=CC=C2C

Isomeric SMILES

CC[NH+](CCCSC)CC1CC[NH+](CC1)CCC2=CC=CC=C2C

InChI

InChI=1S/C21H36N2S/c1-4-22(13-7-17-24-3)18-20-10-14-23(15-11-20)16-12-21-9-6-5-8-19(21)2/h5-6,8-9,20H,4,7,10-18H2,1-3H3/p+2