4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCSCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCSCC4

InChI

InChI=1S/C21H23N3OS/c1-23-15-18(16-24-11-13-26-14-12-24)21(22-23)17-7-9-20(10-8-17)25-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/p+1