N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H21ClN4O/c1-21-16(19-17(23)12-22-9-3-2-4-10-22)11-15(20-21)13-5-7-14(18)8-6-13/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,23)/p+1