5,7-dimethyl-6-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5,7-dimethyl-6-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 6-benzyl-5,7-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-6-(phenylmethyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 6-benzyl-5,7-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 6-benzyl-5,7-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCC[NH+]3CCCC3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCC[NH+]3CCCC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-17-20(15-19-9-4-3-5-10-19)18(2)28-22(26-17)21(16-25-28)23(29)24-11-8-14-27-12-6-7-13-27/h3-5,9-10,16H,6-8,11-15H2,1-2H3,(H,24,29)/p+1