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

Systemtic Name: 2-(4-chlorophenyl)-7-propyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2-(4-chlorophenyl)-7-propyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2-(4-chlorophenyl)-7-propyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-7-propyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 2-(4-chlorophenyl)-7-propyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C22H27ClN5O+ MolecularWeight: 412.93568

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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+]4CCCC4

Isomeric SMILES

CCCC1=C(C=NC2=CC(=NN21)C3=CC=C(C=C3)Cl)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C22H26ClN5O/c1-2-5-20-18(22(29)24-10-13-27-11-3-4-12-27)15-25-21-14-19(26-28(20)21)16-6-8-17(23)9-7-16/h6-9,14-15H,2-5,10-13H2,1H3,(H,24,29)/p+1