5,7-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5,7-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5,7-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5,7-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5,7-dimethyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4)C

InChI

InChI=1S/C21H25N5O/c1-15-11-16(2)26-20(24-15)19(13-23-26)21(27)22-12-17-5-7-18(8-6-17)14-25-9-3-4-10-25/h5-8,11,13H,3-4,9-10,12,14H2,1-2H3,(H,22,27)/p+1