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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)C3CCSCC3

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)C3CCSCC3

InChI

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