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

Systemtic Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropyl-ethanamide chloride Openeye Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide chloride CAS Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-N-cyclopropylacetamide chloride IUPAC Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropylacetamide chloride Traditional Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide chloride Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)NC4CC4.[Cl-]

Isomeric SMILES

C1CCC(CC1)CCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)NC4CC4.[Cl-]

InChI

InChI=1S/C21H28N4O.ClH/c26-21(22-18-10-11-18)15-25-12-4-7-17(14-25)20-13-19(23-24-20)9-8-16-5-2-1-3-6-16;/h4,7,12-14,16,18H,1-3,5-6,8-11,15H2,(H-,22,23,24,26);1H