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

Systemtic Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[3-(methylthio)propyl]ammonium Formula: C20H36N2OS+2 MolecularWeight: 352.57764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCSC)CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](CCCSC)CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H34N2OS/c1-21(12-4-16-24-3)17-19-10-14-22(15-11-19)13-9-18-5-7-20(23-2)8-6-18/h5-8,19H,4,9-17H2,1-3H3/p+2