6-[(2-chlorophenyl)methyl]-5-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-[(2-chlorophenyl)methyl]-5-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-[(2-chlorophenyl)methyl]-5-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-[(2-chlorophenyl)methyl]-5-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-[(2-chlorophenyl)methyl]-5-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-(2-chlorobenzyl)-5-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C24H24ClN6O2+ MolecularWeight: 463.93936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H23ClN6O2/c1-16-18(14-17-6-2-3-7-20(17)25)24(33)31-22(28-16)19(15-27-31)23(32)30-12-10-29(11-13-30)21-8-4-5-9-26-21/h2-9,15,27H,10-14H2,1H3/p+1