3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)propan-1-one

Systemtic Name: 3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)propan-1-one Openeye Name: 3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)propan-1-one CAS Name: 3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)propan-1-one Traditional Name: 3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-(4-thiomorpholin-4-ium-4-ylpiperidino)propan-1-one Formula: C24H35N4O2S+ MolecularWeight: 443.6253

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCSCC2)C(=O)CCC3=NN=C(O3)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCSCC2)C(=O)CCC3=NN=C(O3)CCCCC4=CC=CC=C4

InChI

InChI=1S/C24H34N4O2S/c29-24(28-14-12-21(13-15-28)27-16-18-31-19-17-27)11-10-23-26-25-22(30-23)9-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,21H,4-5,8-19H2/p+1