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

Systemtic Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O/c1-21-10-14(11-22-7-5-12(6-8-22)17(19)23)16(20-21)13-3-2-4-15(18)9-13/h2-4,9-10,12H,5-8,11H2,1H3,(H2,19,23)/p+1