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

Systemtic Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/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)/p+1