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

Systemtic Name: 3-(phenoxymethyl)-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(phenoxymethyl)-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(phenoxymethyl)-5-[[4-(4-thiomorpholin-4-iumyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(phenoxymethyl)-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(phenoxymethyl)-5-[(4-thiomorpholin-4-ium-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C19H28N4O2S+2 MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCSCC2)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCSCC2)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C19H26N4O2S/c1-2-4-17(5-3-1)24-15-18-20-19(25-21-18)14-22-8-6-16(7-9-22)23-10-12-26-13-11-23/h1-5,16H,6-15H2/p+2