4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C16H22N3O2S+ MolecularWeight: 320.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCSCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCSCC3)OC

InChI

InChI=1S/C16H21N3O2S/c1-20-13-3-4-14(15(9-13)21-2)16-12(10-17-18-16)11-19-5-7-22-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,17,18)/p+1