5-(3-morpholin-4-ylsulfonylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-morpholin-4-ylsulfonylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-morpholinosulfonylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-[3-(4-morpholinylsulfonyl)phenyl]-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-morpholin-4-ylsulfonylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-morpholinosulfonylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C17H23N4O4S2+ MolecularWeight: 411.51892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C17H22N4O4S2/c22-27(23,20-8-10-24-11-9-20)15-5-3-4-14(12-15)16-18-21(17(26)25-16)13-19-6-1-2-7-19/h3-5,12H,1-2,6-11,13H2/p+1