4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C20H22N3S+ MolecularWeight: 336.47378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSCC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3S/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)20-19(14-21-22-20)15-23-10-12-24-13-11-23/h1-9,14H,10-13,15H2,(H,21,22)/p+1