4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-oxidanidyl-morpholin-4-ium

Systemtic Name: 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-oxidanidyl-morpholin-4-ium Openeye Name: 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-oxido-morpholin-4-ium CAS Name: 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-oxidomorpholin-4-ium IUPAC Name: 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-oxidomorpholin-4-ium Traditional Name: 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-oxido-morpholin-4-ium Formula: C13H14ClN3O2 MolecularWeight: 279.72216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(C2=C(C=NN2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1COCC[N+]1(C2=C(C=NN2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C13H14ClN3O2/c14-11-3-1-10(2-4-11)12-9-15-16-13(12)17(18)5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,16)