[2-oxidanylidene-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethyl] ester Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NN=C(O1)C2=CC=CS2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCCN(CC1=NN=C(O1)C2=CC=CS2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-2-7-21(11-15-19-20-17(27-15)14-4-3-10-28-14)16(23)12-26-18(24)13-5-8-22(25)9-6-13/h3-6,8-10H,2,7,11-12H2,1H3