[(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone CAS Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCCC(C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC[C@@H](C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H23ClN4O/c1-26-13-19(21(25-26)16-5-2-8-20(23)11-16)15-27-10-4-7-18(14-27)22(28)17-6-3-9-24-12-17/h2-3,5-6,8-9,11-13,18H,4,7,10,14-15H2,1H3/p+1/t18-/m0/s1