6-(azepan-1-yl)-N-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-2-ium-3-yl]pyridine-2-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-2-ium-3-yl]pyridine-2-carboxamide Openeye Name: 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-2-ium-3-yl]pyridine-2-carboxamide CAS Name: 6-(1-azepanyl)-N-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-2-ium-3-yl]pyridine-2-carboxamide Traditional Name: 6-(azepan-1-yl)-N-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-2-ium-3-yl]picolinamide Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=C(C=C2)Cl)NC(=O)C3=NC(=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=C(C=C2)Cl)NC(=O)C3=NC(=CC=C3)N4CCCCCC4

InChI

InChI=1S/C22H24ClN5O/c1-16-15-21(28(26-16)18-11-9-17(23)10-12-18)25-22(29)19-7-6-8-20(24-19)27-13-4-2-3-5-14-27/h6-12,15H,2-5,13-14H2,1H3,(H,25,26,29)/p+1