2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-7-propyl-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C23H29ClN5O+ MolecularWeight: 426.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NC2=CC(=NN21)C3=CC=C(C=C3)Cl)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CCCC1=C(C=NC2=CC(=NN21)C3=CC=C(C=C3)Cl)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C23H28ClN5O/c1-2-6-21-19(23(30)25-11-14-28-12-4-3-5-13-28)16-26-22-15-20(27-29(21)22)17-7-9-18(24)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,30)/p+1