2-methyl-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2-methyl-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2-methyl-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2-methyl-3-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-7-propyl-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2-methyl-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 2-methyl-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CCCC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C24H31N5O/c1-3-10-21-20(24(30)25-13-16-28-14-8-5-9-15-28)17-26-23-22(18(2)27-29(21)23)19-11-6-4-7-12-19/h4,6-7,11-12,17H,3,5,8-10,13-16H2,1-2H3,(H,25,30)/p+1