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

Systemtic Name: 4-[1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C20H29ClN4S+2 MolecularWeight: 392.98906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)[NH+]4CCSCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)[NH+]4CCSCC4

InChI

InChI=1S/C20H27ClN4S/c1-23-14-17(20(22-23)16-3-2-4-18(21)13-16)15-24-7-5-19(6-8-24)25-9-11-26-12-10-25/h2-4,13-14,19H,5-12,15H2,1H3/p+2