N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-7-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-7-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C23H23ClN5OS+ MolecularWeight: 452.97962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CS4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CS4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H22ClN5OS/c24-17-5-3-16(4-6-17)15-28-11-8-18(9-12-28)27-23(30)19-14-26-29-20(7-10-25-22(19)29)21-2-1-13-31-21/h1-7,10,13-14,18H,8-9,11-12,15H2,(H,27,30)/p+1