5,7-dimethyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5,7-dimethyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5,7-dimethyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5,7-dimethyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5,7-dimethyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=C3N=C(C=C(N3N=C2)C)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=C3N=C(C=C(N3N=C2)C)C)C4=CC=CS4

InChI

InChI=1S/C21H27N5OS/c1-14-6-8-25(9-7-14)18(19-5-4-10-28-19)13-22-21(27)17-12-23-26-16(3)11-15(2)24-20(17)26/h4-5,10-12,14,18H,6-9,13H2,1-3H3,(H,22,27)/p+1/t18-/m1/s1