N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide; 1H-pyrazole; chloride

Systemtic Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide; 1H-pyrazole; chloride Openeye Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide; 1H-pyrazole; chloride CAS Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]acetamide; 1H-pyrazole; chloride IUPAC Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide; 1H-pyrazole; chloride Traditional Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide; 1H-pyrazole; chloride Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)COC4=CC=CC=C4.C1=CNN=C1.[Cl-]

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)COC4=CC=CC=C4.C1=CNN=C1.[Cl-]

InChI

InChI=1S/C20H20N4O2.C3H4N2.ClH/c25-20(21-16-8-9-16)13-24-10-4-5-15(12-24)19-11-17(22-23-19)14-26-18-6-2-1-3-7-18;1-2-4-5-3-1;/h1-7,10-12,16H,8-9,13-14H2,(H-,21,22,23,25);1-3H,(H,4,5);1H