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

Systemtic Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c23-19-8-6-17(7-9-19)16-26-14-11-20(12-15-26)27-21(10-13-24-27)25-22(28)18-4-2-1-3-5-18/h1-10,13,20H,11-12,14-16H2,(H,25,28)/p+1