N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C4N=CC=CN4N=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C4N=CC=CN4N=C3

InChI

InChI=1S/C21H25N5O/c1-16-7-11-25(12-8-16)15-18-5-3-17(4-6-18)13-23-21(27)19-14-24-26-10-2-9-22-20(19)26/h2-6,9-10,14,16H,7-8,11-13,15H2,1H3,(H,23,27)/p+1