3-phenethyl-5-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenethyl-5-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-phenethyl-5-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-phenethyl-5-[(4-thiomorpholin-4-yl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenethyl-5-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-phenethyl-5-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCSCC2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCSCC2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H28N4OS/c1-2-4-17(5-3-1)6-7-19-21-20(25-22-19)16-23-10-8-18(9-11-23)24-12-14-26-15-13-24/h1-5,18H,6-16H2/p+1