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

Systemtic Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C21H23ClN5O+ MolecularWeight: 396.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O/c22-18-5-3-16(4-6-18)15-26-12-8-19(9-13-26)27-20(7-11-24-27)25-21(28)17-2-1-10-23-14-17/h1-7,10-11,14,19H,8-9,12-13,15H2,(H,25,28)/p+1