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

Systemtic Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thian-4-yl)azanium Openeye Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [1-[2-(2-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-(4-thianyl)ammonium IUPAC Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thian-4-yl)azanium Traditional Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C21H36N2OS+2 MolecularWeight: 364.58834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)C3CCSCC3

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)C3CCSCC3

InChI

InChI=1S/C21H34N2OS/c1-22(20-10-15-25-16-11-20)17-18-7-12-23(13-8-18)14-9-19-5-3-4-6-21(19)24-2/h3-6,18,20H,7-17H2,1-2H3/p+2