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

Systemtic Name: N-cyclopropyl-2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide chloride CAS Name: N-cyclopropyl-2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]acetamide chloride IUPAC Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-N-cyclopropylacetamide chloride Traditional Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide chloride Formula: C26H25ClN4O MolecularWeight: 444.9559

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H24N4O.ClH/c31-25(27-22-13-14-22)18-30-15-7-12-21(17-30)23-16-24(29-28-23)26(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1-12,15-17,22,26H,13-14,18H2,(H-,27,28,29,31);1H