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

Systemtic Name: 3-phenyl-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-(4-thiomorpholin-4-iumyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C18H26N4OS+2 MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCSCC2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCSCC2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C18H24N4OS/c1-2-4-15(5-3-1)18-19-17(23-20-18)14-21-8-6-16(7-9-21)22-10-12-24-13-11-22/h1-5,16H,6-14H2/p+2