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

Systemtic Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium CAS Name: 4-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]thiomorpholin-4-ium Traditional Name: 4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]thiomorpholin-4-ium Formula: C15H19ClN3S+ MolecularWeight: 308.84946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCSCC3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCSCC3

InChI

InChI=1S/C15H18ClN3S/c1-18-10-13(11-19-5-7-20-8-6-19)15(17-18)12-3-2-4-14(16)9-12/h2-4,9-10H,5-8,11H2,1H3/p+1